Datasets:

allenai

/

layout_distribution_shift

like 0

Follow

Ai2 1,313

[ "supplementary", "materials", "Acta", "Cryst.", "(2009).", "E65,", "o587", "[", "doi:10.1107/S1600536809005741", "]", "N-tert-Butyl-5", "-androstane-17", "-carboxamide", "X.", "Yan,", "S.", "Xu,", "J.", "Wang,", "Y.", "Chen", "and", "P.", "Xia", "Comment", "17β-(N-tert-Butylcarboxamide)-androst-4-ene-3-one", "was", "reported", "to", "exhibit", "potent", "anti-HIV", "activity", "in", "acutely", "infected", "H9", "lymphocytes", "with", "EC50", "and", "therapeutic", "index", "values", "of", "0.8", "and", "300", "µM,", "respectively", "(Xia", "et", "al.,", "1999).", "During", "our", "work", "of", "structural", "modification,", "which", "is", "motivated", "by", "the", "search", "for", "more", "potent", "anti-HIV", "agents,", "we", "found", "that", "17β-(N-tert-", "butylcarboxamide)-5α-androstane", "(I)", "could", "be", "obtained", "through", "Pd/C", "catalytic", "hydrogenation", "of", "17β-(N-tert-butylcarbox-", "amide)-androst-4-ene-3-ol", "in", "excellent", "yield", "(90%);", "full", "structural", "details", "of", "(I)", "are", "reported", "herein.", "The", "molecular", "structure", "of", "(I),", "Fig.1,", "shows", "the", "A/B,", "B/C", "and", "C/D", "ring", "junctions", "to", "be", "all", "trans.", "The", "cyclohexane", "rings", "adopt", "chair", "conformations,", "and", "the", "cyclopentane", "ring", "adopts", "an", "envelope", "conformation.", "Based", "on", "the", "known", "configurations", "of", "the", "C10,", "C13-methyl", "groups,", "see", "Experimental,", "5-H", "is", "assigned", "an", "α-configuration.", "The", "17-N-tert-butylcarboxamide", "group", "is", "in", "a", "β-configuration.", "The", "stereogenic", "sites", "of", "(I)", "exhibit", "the", "following", "chirality:", "C5", "=", "R,", "C8", "=", "R,", "C9", "=", "S,", "C10", "=", "S,", "C13", "=", "S,", "C14", "=", "S", "and", "C17", "=", "S.", "Experimental", "Compound", "(I)", "was", "prepared", "from", "the", "corresponding", "4-ene-3-ol", "by", "catalytic", "hydrogenation", "with", "5%", "palladium-on-charcoal", "in", "EtOH", "for", "1", "day.", "After", "filtration", "and", "removal", "of", "the", "solvent,", "the", "residue", "was", "crystallized", "from", "acetone", "to", "give", "colourless", "crystals.", "The", "starting", "material,", "17β-(N-tert-butylcarboxamide)-androst-4-ene-3-ol,", "was", "obtained", "from", "the", "reduction", "of", "17β-(N-", "tert-butylcarboxamide)-androst-4-ene-3-one", "with", "NaBH4.", "It", "is", "an", "intermediate", "in", "the", "synthesis", "of", "Finasteride", "and", "derived", "initially", "from", "diosgenin,", "for", "which", "the", "absolute", "configurations", "of", "all", "chiral", "centers", "of", "the", "steroid", "skeleton", "have", "been", "de-", "termined", "(Fieser", "&", "Fieser,", "1959;", "Marker", "et", "al.,", "1940).", "Recently,", "the", "absolute", "configurations", "of", "the", "chiral", "centres", "were", "confirmed", "by", "the", "X-ray", "crystal", "structure", "determination", "of", "a", "3-Br", "substituted", "steroid", "substrate", "synthesized", "from", "diosgenin", "(Castro-Méndez", "et", "al.,", "2002).", "The", "hydrogenation", "of", "4-en-3-one", "moiety", "did", "not", "cause", "inversion", "of", "the", "configurations", "at", "C8,", "C9,", "C10,", "C13", "and", "C14", "(Throop", "&", "Tokes,", "1967;", "House,", "1972).", "Thus,", "by", "comparing", "the", "orientation", "of", "5-H", "to", "that", "of", "methyl", "groups", "at", "C10", "and", "C13,", "the", "absolute", "configuration", "of", "(I)", "could", "be", "determined.", "Refinement", "All", "H", "atoms", "were", "placed", "in", "the", "idealized", "positions", "with", "N—H", "=", "0.86", "Å,", "methine", "C—H", "=", "0.98", "Å,", "methylene", "C—H", "=", "0.97", "Å", "and", "methyl", "C—H", "=", "0.96", "Å,", "and", "treated", "as", "riding", "with", "Uiso(H)", "=", "1.2", "Ueq(N-H,", "CH2", "and", "CH)", "and", "1.5Ueq(CH3).", "In", "the", "absence", "of", "significant", "anomalous", "scattering", "effects,", "1971", "Friedel", "pairs", "were", "averaged", "in", "the", "final", "refinement.", "sup-1" ]

[ [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 60, 84.5, 78.3, 94.5 ], [ 80.8, 84.5, 104.9, 94.5 ], [ 107.4, 84.5, 136.6, 94.5 ], [ 139.1, 84.5, 157.7, 94.5 ], [ 160.2, 84.5, 180.2, 94.5 ], [ 190.2, 84.5, 193.5, 94.5 ], [ 196, 84.5, 333, 94.5 ], [ 335.5, 84.5, 338.8, 94.5 ], [ 60, 112.7, 129.5, 124.5 ], [ 136.5, 112.8, 211.6, 124.5 ], [ 218.6, 112.8, 287.5, 124.5 ], [ 60, 138.5, 71.4, 150.2 ], [ 74.3, 138.5, 96.7, 150.2 ], [ 99.7, 138.5, 109.1, 150.2 ], [ 112, 138.5, 129.9, 150.2 ], [ 132.8, 138.5, 141.6, 150.2 ], [ 144.5, 138.5, 176.7, 150.2 ], [ 179.6, 138.5, 189.9, 150.2 ], [ 192.9, 138.5, 219.5, 150.2 ], [ 222.4, 138.5, 241.3, 150.2 ], [ 244.2, 138.5, 253.2, 150.2 ], [ 256.1, 138.5, 273.7, 150.2 ], [ 60, 172.5, 102.8, 182.5 ], [ 60, 196, 270.4, 206.1 ], [ 272.6, 196.1, 288.1, 206.1 ], [ 290.3, 196.1, 323.6, 206.1 ], [ 325.7, 196.1, 333.5, 206.1 ], [ 335.7, 196.1, 363.4, 206.1 ], [ 365.6, 196.1, 390.5, 206.1 ], [ 392.7, 196.1, 428.8, 206.1 ], [ 430.9, 196.1, 460.9, 206.1 ], [ 463.1, 196.1, 470.8, 206.1 ], [ 473, 196.1, 501.8, 206.1 ], [ 504, 196.1, 536.2, 206.1 ], [ 538.3, 196.1, 549.7, 207.5 ], [ 60, 212.6, 111.1, 222.6 ], [ 113.8, 212.6, 131.5, 222.6 ], [ 134.3, 212.6, 155.4, 224 ], [ 158.1, 212.6, 172.5, 222.6 ], [ 175.3, 212.6, 219.6, 222.6 ], [ 222.3, 212.6, 244.5, 222.6 ], [ 247.3, 212.6, 272.8, 222.6 ], [ 275.5, 212.6, 283.9, 222.6 ], [ 286.6, 212.6, 299.1, 222.6 ], [ 301.8, 212.6, 316.2, 222.6 ], [ 319, 212.6, 334, 222.6 ], [ 336.7, 212.5, 353.9, 222.6 ], [ 356.6, 212.6, 404.8, 222.6 ], [ 407.6, 212.6, 425.3, 222.6 ], [ 428, 212.5, 435.2, 222.5 ], [ 438, 212.5, 450.7, 222.6 ], [ 453.5, 212.6, 479.3, 222.6 ], [ 482, 212.6, 510.4, 222.6 ], [ 513.1, 212.6, 526.4, 222.6 ], [ 529.1, 212.6, 549.7, 222.6 ], [ 60, 229.1, 68.3, 239.1 ], [ 71.3, 229.1, 109.1, 239.1 ], [ 112.1, 229.1, 165.6, 239.1 ], [ 168.6, 229.1, 193.1, 239.1 ], [ 196.1, 229.1, 202.7, 239.1 ], [ 205.7, 229.1, 245.7, 239.1 ], [ 248.7, 229.1, 258.7, 239.1 ], [ 261.7, 229.1, 273.9, 239.1 ], [ 276.9, 229.1, 302.4, 239.1 ], [ 305.5, 229.1, 317.1, 239.1 ], [ 320.1, 229.1, 340.7, 239.1 ], [ 343.7, 229.1, 368.6, 239.1 ], [ 371.7, 229.1, 407.7, 239.1 ], [ 410.7, 229.1, 438.8, 239.1 ], [ 441.8, 229.1, 453.4, 239.1 ], [ 456.4, 229.1, 479.8, 239.1 ], [ 482.8, 229.1, 497.8, 239.1 ], [ 500.8, 229.1, 549.7, 239.1 ], [ 60, 244.1, 195.6, 254.1 ], [ 198.3, 244.1, 208.3, 254.1 ], [ 211, 244.1, 233.2, 254.1 ], [ 236, 244.1, 245.4, 254.1 ], [ 248.1, 244.1, 282.5, 254.1 ], [ 285.2, 244.1, 316.3, 254.1 ], [ 319, 244.1, 339, 254.1 ], [ 341.7, 244.1, 375.5, 254.1 ], [ 378.2, 244.1, 436, 254.1 ], [ 438.7, 244.1, 447, 254.1 ], [ 449.7, 244.1, 549.7, 254.1 ], [ 60, 259.1, 165.4, 269.1 ], [ 167.9, 259.1, 175.7, 269.1 ], [ 178.2, 259.1, 214.2, 269.1 ], [ 216.7, 259.1, 236.7, 269.1 ], [ 239.2, 259.1, 267, 269.1 ], [ 269.5, 259.1, 283.3, 269.1 ], [ 285.8, 259.1, 323.6, 269.1 ], [ 326, 259.1, 352.1, 269.1 ], [ 354.6, 259.1, 362.9, 269.1 ], [ 365.4, 259.1, 375.4, 269.1 ], [ 377.9, 259.1, 390.1, 269.1 ], [ 392.6, 259.1, 425.9, 269.1 ], [ 428.4, 259.1, 455.9, 269.1 ], [ 72.5, 284.1, 88, 294.1 ], [ 90.6, 284.1, 130.6, 294.1 ], [ 133.1, 284.1, 168.1, 294.1 ], [ 170.7, 284.1, 179, 294.1 ], [ 181.6, 284.1, 194.1, 294.1 ], [ 196.7, 284.1, 220, 294.1 ], [ 222.6, 284.1, 247.6, 294.1 ], [ 250.2, 284.1, 262.4, 294.1 ], [ 265, 284.1, 284.1, 294.1 ], [ 286.7, 284.1, 302.8, 294.1 ], [ 305.4, 284.1, 319.8, 294.1 ], [ 322.4, 284.1, 339.1, 294.1 ], [ 341.7, 284.1, 357.8, 294.1 ], [ 360.4, 284.1, 397, 294.1 ], [ 399.6, 284.1, 407.4, 294.1 ], [ 410, 284.1, 419.4, 294.1 ], [ 422, 284.1, 432, 294.1 ], [ 434.5, 284.1, 456.5, 294.1 ], [ 459.1, 284.1, 474.6, 294.1 ], [ 477.2, 284.1, 527.1, 294.1 ], [ 529.7, 284.1, 549.7, 294.1 ], [ 60, 299.1, 82.2, 309.1 ], [ 84.4, 299.1, 104.3, 309.1 ], [ 106.5, 299.1, 166.7, 309.1 ], [ 168.9, 299.1, 183.3, 309.1 ], [ 185.5, 299.1, 197.7, 309.1 ], [ 199.8, 299.1, 252.5, 309.1 ], [ 254.7, 299.1, 270.8, 309.1 ], [ 272.9, 299.1, 299, 309.1 ], [ 301.2, 299.1, 310.6, 309.1 ], [ 312.8, 299.1, 348.8, 309.1 ], [ 351, 299.1, 407.3, 309.1 ], [ 409.5, 299.1, 433.9, 309.1 ], [ 436.1, 299.1, 446.1, 309.1 ], [ 448.2, 299.1, 460.4, 309.1 ], [ 462.6, 299.1, 489.8, 309.1 ], [ 492, 299.1, 549.7, 309.1 ], [ 60, 314.1, 68.3, 324.1 ], [ 71.7, 314.1, 83.9, 324.1 ], [ 87.4, 314.1, 106.5, 324.1 ], [ 109.9, 314.1, 157.7, 324.1 ], [ 161.1, 314.1, 190.8, 324.1 ], [ 194.2, 314.1, 207, 324.1 ], [ 210.4, 314.1, 266.7, 324.1 ], [ 270.1, 314.1, 285.6, 324.1 ], [ 289.1, 314.1, 295.7, 324.1 ], [ 299.1, 314.1, 333.5, 324.1 ], [ 337, 314.1, 346.4, 324.1 ], [ 349.8, 314.1, 414.7, 324.1 ], [ 418.1, 314.1, 433.6, 324.1 ], [ 437.1, 314.1, 549.7, 324.1 ], [ 60, 329.1, 83.3, 339.1 ], [ 86.3, 329.1, 92.9, 339.1 ], [ 95.8, 329.1, 103.6, 339.1 ], [ 106.5, 329.1, 111, 339.1 ], [ 113.9, 329.1, 178.6, 339.1 ], [ 181.6, 329.1, 197.1, 339.1 ], [ 200, 329.1, 245.5, 339.1 ], [ 248.4, 329.1, 266.2, 339.1 ], [ 269.1, 329.1, 277.5, 339.1 ], [ 280.4, 329.1, 290.4, 339.1 ], [ 293.3, 329.1, 321, 339.1 ], [ 324, 329.1, 336.2, 339.1 ], [ 339.1, 329.1, 378, 339.1 ], [ 380.9, 329.1, 416.9, 339.1 ], [ 419.9, 329.1, 431.5, 339.1 ], [ 434.4, 329.1, 440.1, 339.1 ], [ 443, 329.1, 452.2, 339.1 ], [ 455.1, 329.1, 466.8, 339.1 ], [ 469.7, 329.1, 475.3, 339.1 ], [ 478.2, 329.1, 487.4, 339.1 ], [ 490.3, 329.1, 502, 339.1 ], [ 504.9, 329.1, 510.6, 339.1 ], [ 513.5, 329.1, 521.5, 339.1 ], [ 524.5, 329.1, 541.1, 339.1 ], [ 544.1, 329.1, 549.7, 339.1 ], [ 60, 344.1, 68.1, 354.1 ], [ 70.6, 344.1, 87.2, 354.1 ], [ 89.7, 344.1, 95.4, 354.1 ], [ 97.8, 344.1, 105.9, 354.1 ], [ 108.4, 344.1, 125.1, 354.1 ], [ 127.6, 344.1, 133.2, 354.1 ], [ 135.7, 344.1, 141.3, 354.1 ], [ 143.8, 344.1, 158.2, 354.1 ], [ 160.7, 344.1, 177.4, 354.1 ], [ 179.8, 344.1, 185.5, 354.1 ], [ 188, 344.1, 196, 354.1 ], [ 60, 377.5, 117.2, 387.5 ], [ 60, 401.1, 104.4, 411.1 ], [ 106.8, 401.1, 116.8, 411.1 ], [ 119.2, 401.1, 134.8, 411.1 ], [ 137.2, 401.1, 172.1, 411.1 ], [ 174.6, 401.1, 194, 411.1 ], [ 196.4, 401.1, 208.6, 411.1 ], [ 211, 401.1, 268.2, 411.1 ], [ 270.6, 401.1, 312.2, 411.1 ], [ 314.6, 401.1, 324.6, 411.1 ], [ 327, 401.1, 360.8, 411.1 ], [ 363.2, 401.1, 421, 411.1 ], [ 423.4, 401.1, 441.1, 411.1 ], [ 443.6, 401.1, 456.9, 411.1 ], [ 459.3, 401.1, 549.7, 411.1 ], [ 60, 416.1, 67.8, 426.1 ], [ 70.4, 416.1, 93.7, 426.1 ], [ 96.3, 416.1, 108, 426.1 ], [ 110.6, 416.1, 115.6, 426.1 ], [ 118.3, 416.1, 134.5, 426.1 ], [ 137.2, 416.1, 158.3, 426.1 ], [ 160.9, 416.1, 195.8, 426.1 ], [ 198.5, 416.1, 212.9, 426.1 ], [ 215.5, 416.1, 248.2, 426.1 ], [ 250.9, 416.1, 259.2, 426.1 ], [ 261.8, 416.1, 274, 426.1 ], [ 276.7, 416.1, 308, 426.1 ], [ 310.6, 416.1, 322.8, 426.1 ], [ 325.5, 416.1, 354.3, 426.1 ], [ 357, 416.1, 372.5, 426.1 ], [ 375.1, 416.1, 421.1, 426.1 ], [ 423.8, 416.1, 443.2, 426.1 ], [ 445.8, 416.1, 476.3, 426.1 ], [ 479, 416.1, 486.7, 426.1 ], [ 489.4, 416.1, 506.6, 426.1 ], [ 509.2, 416.1, 549.7, 426.1 ], [ 60, 431.1, 93, 441.1 ], [ 72.5, 456.1, 88, 466.1 ], [ 91.3, 456.1, 121.2, 466.1 ], [ 124.5, 456.1, 159.7, 466.1 ], [ 163, 456.1, 367.5, 466.1 ], [ 370.8, 456.1, 386.3, 466.1 ], [ 389.6, 456.1, 424, 466.1 ], [ 427.3, 456.1, 446.7, 466.1 ], [ 449.9, 456.1, 462.1, 466.1 ], [ 465.4, 456.1, 503.1, 466.1 ], [ 506.4, 456.1, 514.7, 466.1 ], [ 518, 456.1, 549.7, 466.1 ], [ 60, 471.1, 237, 481.1 ], [ 239.9, 471.1, 257.6, 481.1 ], [ 260.5, 471.1, 292.6, 482.6 ], [ 295.5, 471.1, 301.6, 481.1 ], [ 304.4, 471.1, 311.1, 481.1 ], [ 313.9, 471.1, 323.4, 481.1 ], [ 326.2, 471.1, 376.1, 481.1 ], [ 378.9, 471.1, 386.7, 481.1 ], [ 389.6, 471.1, 401.8, 481.1 ], [ 404.6, 471.1, 441.2, 481.1 ], [ 444.1, 471.1, 452.4, 481.1 ], [ 455.2, 471.1, 499.6, 481.1 ], [ 502.5, 471.1, 516.9, 481.1 ], [ 519.7, 471.1, 549.7, 481.1 ], [ 60, 487.6, 91, 497.6 ], [ 94.3, 487.6, 113.7, 497.6 ], [ 116.9, 487.6, 158.3, 497.6 ], [ 161.5, 487.6, 173.1, 497.6 ], [ 176.3, 487.6, 200.8, 497.6 ], [ 204, 487.6, 216.2, 497.6 ], [ 219.4, 487.6, 252.7, 497.6 ], [ 255.9, 487.6, 313.6, 497.6 ], [ 316.8, 487.6, 325.1, 497.6 ], [ 328.3, 487.6, 338.3, 497.6 ], [ 341.5, 487.6, 364.2, 497.6 ], [ 367.5, 487.6, 395.7, 497.6 ], [ 398.9, 487.6, 407.3, 497.6 ], [ 410.5, 487.6, 422.7, 497.6 ], [ 425.9, 487.6, 453.1, 497.6 ], [ 456.3, 487.6, 489.6, 497.6 ], [ 492.8, 487.6, 511.7, 497.6 ], [ 514.9, 487.6, 533.7, 497.6 ], [ 536.9, 487.6, 549.7, 497.6 ], [ 60, 502.6, 95.5, 512.6 ], [ 99.2, 502.6, 126.9, 512.6 ], [ 130.6, 502.6, 138.4, 512.6 ], [ 142.1, 502.6, 168.6, 512.6 ], [ 172.3, 502.6, 195, 512.6 ], [ 198.7, 502.6, 228.1, 512.6 ], [ 231.8, 502.6, 239, 512.6 ], [ 242.7, 502.6, 255.5, 512.6 ], [ 259.2, 502.6, 285, 512.6 ], [ 288.7, 502.6, 326, 512.6 ], [ 329.7, 502.6, 341.9, 512.6 ], [ 345.6, 502.6, 378.9, 512.6 ], [ 382.6, 502.6, 440.3, 512.6 ], [ 444, 502.6, 452.3, 512.6 ], [ 456, 502.6, 468.2, 512.6 ], [ 471.9, 502.6, 494.6, 512.6 ], [ 498.3, 502.6, 526.6, 512.6 ], [ 530.3, 502.6, 549.7, 512.6 ], [ 60, 517.6, 101.1, 527.6 ], [ 104, 517.6, 114, 527.6 ], [ 116.9, 517.6, 129.1, 527.6 ], [ 132.1, 517.6, 155.4, 527.6 ], [ 158.3, 517.6, 185, 527.6 ], [ 187.9, 517.6, 222.8, 527.6 ], [ 225.8, 517.6, 281.3, 527.6 ], [ 284.2, 517.6, 292.5, 527.6 ], [ 295.5, 517.6, 299.9, 527.6 ], [ 302.8, 517.6, 321.2, 527.6 ], [ 324.1, 517.6, 367.4, 527.6 ], [ 370.3, 517.6, 397.5, 527.6 ], [ 400.5, 517.6, 436, 527.6 ], [ 438.9, 517.6, 485.5, 527.6 ], [ 488.5, 517.6, 507.9, 527.6 ], [ 510.8, 517.6, 549.7, 527.6 ], [ 60, 532.6, 124.9, 542.6 ], [ 127.3, 532.6, 134.5, 542.6 ], [ 137, 532.6, 149.7, 542.6 ], [ 152.2, 532.6, 178, 542.6 ], [ 180.4, 532.6, 196, 542.6 ], [ 198.4, 532.6, 256.1, 542.6 ], [ 258.6, 532.6, 266.9, 542.6 ], [ 269.3, 532.6, 313.2, 542.6 ], [ 315.6, 532.6, 343.3, 542.6 ], [ 345.8, 532.6, 358.5, 542.6 ], [ 361, 532.6, 373.7, 542.6 ], [ 376.2, 532.6, 398.3, 542.6 ], [ 400.8, 532.6, 438, 542.6 ], [ 440.4, 532.6, 448.7, 542.6 ], [ 451.1, 532.6, 463.3, 542.6 ], [ 465.8, 532.6, 523.5, 542.6 ], [ 525.9, 532.6, 533.1, 542.6 ], [ 535.6, 532.6, 549.7, 542.6 ], [ 60, 547.6, 74.2, 557.6 ], [ 76.6, 547.6, 95.8, 557.6 ], [ 98.3, 547.6, 114.9, 557.6 ], [ 117.4, 547.6, 131.8, 557.6 ], [ 134.3, 547.6, 151, 557.6 ], [ 153.4, 547.6, 186.2, 557.6 ], [ 188.6, 547.6, 196.4, 557.6 ], [ 198.9, 547.6, 225.1, 557.6 ], [ 227.6, 547.6, 250.4, 557.6 ], [ 252.8, 547.6, 280.9, 557.6 ], [ 283.3, 547.6, 309.2, 557.6 ], [ 311.6, 547.6, 334.1, 557.6 ], [ 336.6, 547.6, 346.6, 557.6 ], [ 349.1, 547.6, 391.8, 557.6 ], [ 394.3, 547.6, 406.5, 557.6 ], [ 408.9, 547.6, 452.2, 557.6 ], [ 454.7, 547.6, 463, 557.6 ], [ 465.5, 547.6, 481, 557.6 ], [ 483.5, 547.6, 491.3, 557.6 ], [ 493.7, 547.6, 508.7, 557.6 ], [ 511.2, 547.6, 519.5, 557.6 ], [ 522, 547.6, 549.7, 557.6 ], [ 60, 562.6, 87.2, 572.6 ], [ 89.7, 562.6, 96.9, 572.6 ], [ 99.4, 562.6, 116.1, 572.6 ], [ 118.6, 562.6, 133, 572.6 ], [ 135.5, 562.6, 154.7, 572.6 ], [ 157.2, 562.6, 169.4, 572.6 ], [ 171.9, 562.6, 205.2, 572.6 ], [ 207.7, 562.6, 261.5, 572.6 ], [ 264, 562.6, 272.3, 572.6 ], [ 274.8, 562.6, 284.8, 572.6 ], [ 287.3, 562.6, 309.5, 572.6 ], [ 312, 562.6, 321.4, 572.6 ], [ 323.9, 562.6, 371.4, 572.6 ], [ 60, 596.1, 109.8, 606.1 ], [ 60, 619.6, 72.8, 629.6 ], [ 75.3, 619.6, 82.5, 629.6 ], [ 85, 619.6, 108.9, 629.6 ], [ 111.4, 619.6, 130.8, 629.6 ], [ 133.4, 619.6, 159.4, 629.6 ], [ 162, 619.6, 169.7, 629.6 ], [ 172.3, 619.6, 184.5, 629.6 ], [ 187, 619.6, 223, 629.6 ], [ 225.6, 619.6, 261.7, 629.6 ], [ 264.2, 619.6, 282, 629.6 ], [ 284.5, 619.6, 308.9, 629.6 ], [ 311.5, 619.6, 317.1, 629.6 ], [ 319.6, 619.6, 337.1, 629.6 ], [ 339.7, 619.6, 349.4, 629.6 ], [ 351.9, 619.6, 384.1, 629.6 ], [ 386.6, 619.6, 410.5, 629.6 ], [ 413, 619.6, 418.7, 629.6 ], [ 421.2, 619.6, 438.7, 629.6 ], [ 441.2, 619.6, 450.9, 629.6 ], [ 453.5, 619.6, 495.1, 629.6 ], [ 497.6, 619.6, 521.5, 629.6 ], [ 524, 619.6, 529.7, 629.6 ], [ 532.2, 619.6, 549.7, 629.6 ], [ 60, 634.7, 67.2, 644.7 ], [ 70.2, 634.7, 84.6, 644.7 ], [ 87.6, 634.7, 115.3, 644.7 ], [ 118.3, 634.7, 142.1, 644.7 ], [ 145.1, 634.7, 150.7, 644.7 ], [ 153.7, 634.7, 171.2, 644.7 ], [ 174.1, 634.7, 183.8, 644.7 ], [ 186.8, 634.7, 201.2, 644.7 ], [ 204.2, 634.7, 231.3, 644.7 ], [ 234.3, 634.7, 242.6, 644.7 ], [ 245.6, 634.7, 269.4, 644.7 ], [ 272.4, 634.7, 290.2, 644.7 ], [ 293.1, 634.6, 323.9, 646.1 ], [ 326.9, 634.7, 332.5, 644.7 ], [ 335.5, 634.7, 348, 644.7 ], [ 350.9, 634.6, 389.6, 646.1 ], [ 392.5, 634.7, 410.6, 646.1 ], [ 413.5, 634.7, 428, 644.7 ], [ 430.9, 634.7, 448.1, 644.7 ], [ 451.1, 634.7, 465.5, 644.7 ], [ 468.5, 634.6, 523.3, 646.1 ], [ 526.2, 634.7, 534.5, 644.7 ], [ 537.5, 634.7, 549.7, 644.7 ], [ 60, 651.2, 91.6, 661.2 ], [ 94.1, 651.2, 102.4, 661.2 ], [ 104.9, 651.2, 147.1, 661.2 ], [ 149.6, 651.2, 192.9, 661.2 ], [ 195.4, 651.2, 234.2, 661.2 ], [ 236.7, 651.2, 265.6, 661.2 ], [ 268.1, 651.2, 288.1, 661.2 ], [ 290.6, 651.2, 318.9, 661.2 ], [ 321.4, 651.2, 340.8, 661.2 ], [ 343.4, 651.2, 362.8, 661.2 ], [ 365.3, 651.2, 401.3, 661.2 ], [ 403.8, 651.2, 411.6, 661.2 ], [ 414.1, 651.2, 426.3, 661.2 ], [ 428.8, 651.2, 447.1, 661.2 ], [ 449.6, 651.2, 495.3, 661.2 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 2, 2, 9, 9, 9, 9, 9, 2, 2, 2, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 11 ]

[ 0, 0, 1, 1, 1, 1, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13 ]

[ 0, 0, 1, 1, 1, 1, 1, 2, 2, 2, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 16, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 19, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 23, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 28, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 32 ]

[ "supplementary", "materials", "240", "parameters", "Δρmin", "=", "−0.12", "e", "Å−3", "Pmreimthaordysatom", "site", "location:", "structure-invariant", "direct", "Extinction", "correction:", "none", "Special", "details", "Geometry.", "All", "e.s.d.'s", "(except", "the", "e.s.d.", "in", "the", "dihedral", "angle", "between", "two", "l.s.", "planes)", "are", "estimated", "using", "the", "full", "covariance", "mat-", "rix.", "The", "cell", "e.s.d.'s", "are", "taken", "into", "account", "individually", "in", "the", "estimation", "of", "e.s.d.'s", "in", "distances,", "angles", "and", "torsion", "angles;", "correlations", "between", "e.s.d.'s", "in", "cell", "parameters", "are", "only", "used", "when", "they", "are", "defined", "by", "crystal", "symmetry.", "An", "approximate", "(isotropic)", "treatment", "of", "cell", "e.s.d.'s", "is", "used", "for", "estimating", "e.s.d.'s", "involving", "l.s.", "planes.", "Refinement.", "Refinement", "of", "F2", "against", "ALL", "reflections.", "The", "weighted", "R-factor", "wR", "and", "goodness", "of", "fit", "S", "are", "based", "on", "F2,", "convention-", "al", "R-factors", "R", "are", "based", "on", "F,", "with", "F", "set", "to", "zero", "for", "negative", "F2.", "The", "threshold", "expression", "of", "F2", ">", "σ(F2)", "is", "used", "only", "for", "calculating", "R-", "factors(gt)", "etc.", "and", "is", "not", "relevant", "to", "the", "choice", "of", "reflections", "for", "refinement.", "R-factors", "based", "on", "F2", "are", "statistically", "about", "twice", "as", "large", "as", "those", "based", "on", "F,", "and", "R-", "factors", "based", "on", "ALL", "data", "will", "be", "even", "larger.", "Fractional", "atomic", "coordinates", "and", "isotropic", "or", "equivalent", "isotropic", "displacement", "parameters", "(Å2)", "N1", "H1", "O1", "C1", "H1A", "H1B", "C2", "H2A", "H2B", "C3", "H3A", "H3B", "C4", "H4A", "H4B", "C5", "H5", "C6", "H6A", "H6B", "C7", "H7A", "H7B", "C8", "H8", "C9", "H9", "C10", "C11", "H11A", "x", "0.8035", "(3)", "0.9247", "0.4554", "(3)", "1.1936", "(4)", "1.2184", "1.2916", "1.2381", "(4)", "1.1548", "1.3849", "1.1892", "(4)", "1.2928", "1.1993", "0.9727", "(4)", "0.9568", "0.8681", "0.9344", "(4)", "1.0430", "0.7298", "(4)", "0.7239", "0.6157", "0.7000", "(4)", "0.5601", "0.8002", "0.7295", "(3)", "0.6196", "0.9436", "(3)", "1.0496", "0.9693", "(3)", "0.9900", "(4)", "0.9022", "y", "0.65842", "(13)", "0.6820", "0.67334", "(13)", "0.62769", "(17)", "0.5667", "0.6815", "0.59935", "(18)", "0.5388", "0.5806", "0.6872", "(2)", "0.7420", "0.6618", "0.73240", "(19)", "0.7949", "0.6822", "0.75945", "(17)", "0.8106", "0.81485", "(17)", "0.8752", "0.7685", "0.85044", "(16)", "0.8792", "0.9053", "0.76086", "(15)", "0.7091", "0.70738", "(15)", "0.7621", "0.66681", "(15)", "0.62511", "(16)", "0.5646", "z", "0.56653", "(6)", "0.5751", "0.58044", "(5)", "0.84810", "(7)", "0.8274", "0.8377", "0.90230", "(7)", "0.9114", "0.9057", "0.93761", "(8)", "0.9334", "0.9717", "0.92929", "(7)", "0.9494", "0.9402", "0.87460", "(7)", "0.8660", "0.86688", "(7)", "0.8887", "0.8760", "0.81299", "(7)", "0.8091", "0.8055", "0.77615", "(7)", "0.7826", "0.78447", "(6)", "0.7802", "0.83881", "(7)", "0.74440", "(7)", "0.7505", "Uiso*/Ueq", "0.0540", "(5)", "0.065*", "0.0666", "(5)", "0.0534", "(6)", "0.064*", "0.064*", "0.0614", "(7)", "0.074*", "0.074*", "0.0682", "(7)", "0.082*", "0.082*", "0.0635", "(7)", "0.076*", "0.076*", "0.0522", "(6)", "0.063*", "0.0610", "(7)", "0.073*", "0.073*", "0.0614", "(7)", "0.074*", "0.074*", "0.0426", "(5)", "0.051*", "0.0397", "(5)", "0.048*", "0.0400", "(5)", "0.0508", "(6)", "0.061*", "sup-3" ]

[ [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 61.2, 76, 74.7, 85 ], [ 77, 76, 116.4, 85 ], [ 257.1, 76.7, 278.1, 86.8 ], [ 280.4, 76.7, 285.5, 85.7 ], [ 287.7, 76.7, 308.5, 85.7 ], [ 310.8, 76.7, 314.8, 85.7 ], [ 317, 74.3, 330.9, 85.7 ], [ 61.2, 91.1, 110.4, 110.9 ], [ 112.6, 91.1, 125.1, 100.1 ], [ 127.4, 91.1, 158.8, 100.1 ], [ 161.1, 91.1, 227.5, 100.1 ], [ 229.7, 91.1, 250.2, 100.1 ], [ 257.1, 96.5, 294.5, 105.5 ], [ 296.8, 96.5, 335.7, 105.5 ], [ 338, 96.5, 355.4, 105.5 ], [ 60, 133.9, 89.4, 143.9 ], [ 91.9, 133.9, 118.5, 143.9 ], [ 61.2, 153.4, 101.9, 162.4 ], [ 104.1, 153.4, 115.6, 162.4 ], [ 117.9, 153.4, 141.7, 162.4 ], [ 144, 153.4, 170.4, 162.4 ], [ 172.7, 153.4, 183.7, 162.4 ], [ 185.9, 153.4, 204.7, 162.4 ], [ 206.9, 153.4, 213.9, 162.4 ], [ 216.2, 153.4, 227.1, 162.4 ], [ 229.4, 153.4, 258.8, 162.4 ], [ 261.1, 153.4, 280.6, 162.4 ], [ 282.8, 153.4, 312.8, 162.4 ], [ 315, 153.4, 328.5, 162.4 ], [ 330.8, 153.4, 341.2, 162.4 ], [ 343.5, 153.4, 369.5, 162.4 ], [ 371.7, 153.4, 382.7, 162.4 ], [ 384.9, 153.4, 419.4, 162.4 ], [ 421.6, 153.4, 441.1, 162.4 ], [ 443.4, 153.4, 454.3, 162.4 ], [ 456.6, 153.4, 469.1, 162.4 ], [ 471.3, 153.4, 510.2, 162.4 ], [ 512.5, 153.4, 529, 162.4 ], [ 61.2, 166.9, 73.4, 175.9 ], [ 75.7, 166.9, 89.7, 175.9 ], [ 91.9, 166.9, 104.9, 175.9 ], [ 107.1, 166.9, 131, 175.9 ], [ 133.2, 166.9, 144.2, 175.9 ], [ 146.5, 166.9, 165.9, 175.9 ], [ 168.2, 166.9, 182.2, 175.9 ], [ 184.4, 166.9, 212.4, 175.9 ], [ 214.6, 166.9, 258.1, 175.9 ], [ 260.3, 166.9, 267.3, 175.9 ], [ 269.6, 166.9, 280.5, 175.9 ], [ 282.8, 166.9, 320.2, 175.9 ], [ 322.5, 166.9, 330, 175.9 ], [ 332.2, 166.9, 356.1, 175.9 ], [ 358.3, 166.9, 365.3, 175.9 ], [ 367.6, 166.9, 402.8, 175.9 ], [ 405, 166.9, 428, 175.9 ], [ 430.2, 166.9, 443.2, 175.9 ], [ 445.5, 166.9, 470.5, 175.9 ], [ 472.7, 166.9, 498.2, 175.9 ], [ 500.4, 166.9, 542.9, 175.9 ], [ 61.2, 180.4, 91.2, 189.4 ], [ 93.4, 180.4, 117.3, 189.4 ], [ 119.5, 180.4, 126.5, 189.4 ], [ 128.8, 180.4, 141.7, 189.4 ], [ 144, 180.4, 183.4, 189.4 ], [ 185.6, 180.4, 196.6, 189.4 ], [ 198.9, 180.4, 214.9, 189.4 ], [ 217.1, 180.4, 233.6, 189.4 ], [ 235.8, 180.4, 255.3, 189.4 ], [ 257.6, 180.4, 273.1, 189.4 ], [ 275.3, 180.4, 286.3, 189.4 ], [ 288.5, 180.4, 315.5, 189.4 ], [ 317.7, 180.4, 326.7, 189.4 ], [ 329, 180.4, 353, 189.4 ], [ 355.2, 180.4, 392.8, 189.4 ], [ 395.1, 180.4, 406.1, 189.4 ], [ 408.3, 180.4, 453.3, 189.4 ], [ 455.5, 180.4, 493, 189.4 ], [ 495.2, 180.4, 529.2, 189.4 ], [ 531.4, 180.4, 538.9, 189.4 ], [ 61.2, 193.9, 74.2, 202.9 ], [ 76.4, 193.9, 100.3, 202.9 ], [ 102.5, 193.9, 108.5, 202.9 ], [ 110.8, 193.9, 127.3, 202.9 ], [ 129.5, 193.9, 140, 202.9 ], [ 142.2, 193.9, 179.7, 202.9 ], [ 181.9, 193.9, 205.8, 202.9 ], [ 208, 193.9, 242.5, 202.9 ], [ 244.8, 193.9, 255.3, 202.9 ], [ 257.5, 193.9, 282.7, 202.9 ], [ 61.2, 212.4, 107.9, 221.4 ], [ 110.2, 212.4, 152.1, 221.4 ], [ 154.3, 212.4, 161.8, 221.4 ], [ 164.1, 210, 173, 221.4 ], [ 175.3, 212.4, 200.8, 221.4 ], [ 203, 212.4, 220.5, 221.4 ], [ 222.7, 212.4, 262.9, 221.4 ], [ 265.2, 212.4, 279.1, 221.4 ], [ 281.4, 212.4, 314.4, 221.4 ], [ 316.6, 212.4, 346, 221.4 ], [ 348.3, 212.4, 359.8, 221.4 ], [ 362, 212.4, 375, 221.4 ], [ 377.3, 212.4, 410.8, 221.4 ], [ 413, 212.4, 420.5, 221.4 ], [ 422.8, 212.4, 430.7, 221.4 ], [ 433, 212.4, 437.5, 221.4 ], [ 439.7, 212.4, 450.7, 221.4 ], [ 453, 212.4, 473.4, 221.4 ], [ 475.7, 212.4, 484.7, 221.4 ], [ 486.9, 210, 498.1, 221.4 ], [ 500.4, 212.4, 543.4, 221.4 ], [ 61.2, 228.5, 67.7, 237.5 ], [ 69.9, 228.5, 102.9, 237.5 ], [ 105.1, 228.5, 110.6, 237.5 ], [ 112.9, 228.5, 123.8, 237.5 ], [ 126.1, 228.5, 146.6, 237.5 ], [ 148.8, 228.5, 157.8, 237.5 ], [ 160.1, 228.5, 167.8, 237.5 ], [ 170.1, 228.5, 186, 237.5 ], [ 188.3, 228.5, 193.8, 237.5 ], [ 196, 228.5, 206, 237.5 ], [ 208.3, 228.5, 215.3, 237.5 ], [ 217.5, 228.5, 233, 237.5 ], [ 235.2, 228.5, 245.7, 237.5 ], [ 248, 228.5, 278.4, 237.5 ], [ 280.7, 226.1, 291.9, 237.5 ], [ 294.1, 228.5, 308.1, 237.5 ], [ 310.4, 228.5, 343.8, 237.5 ], [ 346.1, 228.5, 384.5, 237.5 ], [ 386.8, 228.5, 394.3, 237.5 ], [ 396.5, 226.1, 405.5, 237.5 ], [ 407.8, 228.5, 412.8, 237.5 ], [ 415.1, 226.1, 434.9, 237.5 ], [ 437.1, 228.5, 443.1, 237.5 ], [ 445.4, 228.5, 461.9, 237.5 ], [ 464.1, 228.5, 480.1, 237.5 ], [ 482.3, 228.5, 492.8, 237.5 ], [ 495.1, 228.5, 534.5, 237.5 ], [ 536.8, 228.5, 545.2, 237.5 ], [ 61.2, 244.6, 98.6, 253.6 ], [ 100.9, 244.6, 113.6, 253.6 ], [ 115.9, 244.6, 128.9, 253.6 ], [ 131.1, 244.6, 137.1, 253.6 ], [ 139.3, 244.6, 150.8, 253.6 ], [ 153.1, 244.6, 182, 253.6 ], [ 184.3, 244.6, 191.3, 253.6 ], [ 193.5, 244.6, 204.5, 253.6 ], [ 206.8, 244.6, 230.2, 253.6 ], [ 232.5, 244.6, 240, 253.6 ], [ 242.2, 244.6, 280.1, 253.6 ], [ 282.4, 244.6, 292.9, 253.6 ], [ 295.1, 244.6, 336.3, 253.6 ], [ 338.6, 244.6, 371.5, 253.6 ], [ 373.8, 244.6, 394.2, 253.6 ], [ 396.5, 244.6, 405.5, 253.6 ], [ 407.7, 242.2, 416.7, 253.6 ], [ 419, 244.6, 429.9, 253.6 ], [ 432.2, 244.6, 473.1, 253.6 ], [ 475.3, 244.6, 495.3, 253.6 ], [ 497.6, 244.6, 517, 253.6 ], [ 519.3, 244.6, 526.8, 253.6 ], [ 529, 244.6, 546.8, 253.6 ], [ 61.2, 258.1, 68.7, 267.1 ], [ 70.9, 258.1, 89.9, 267.1 ], [ 92.2, 258.1, 112.6, 267.1 ], [ 114.9, 258.1, 123.9, 267.1 ], [ 126.1, 258.1, 133.9, 267.1 ], [ 136.1, 258.1, 149.1, 267.1 ], [ 151.4, 258.1, 159.9, 267.1 ], [ 162.1, 258.1, 186.6, 267.1 ], [ 188.8, 258.1, 209.3, 267.1 ], [ 211.5, 258.1, 220.5, 267.1 ], [ 222.8, 258.1, 240.3, 267.1 ], [ 242.5, 258.1, 257.5, 267.1 ], [ 259.7, 258.1, 273.7, 267.1 ], [ 276, 258.1, 284.5, 267.1 ], [ 286.7, 258.1, 303.7, 267.1 ], [ 305.9, 258.1, 328.5, 267.1 ], [ 60, 294.6, 102.7, 304.6 ], [ 105.2, 294.6, 132.4, 304.6 ], [ 134.9, 294.6, 181.7, 304.6 ], [ 184.2, 294.6, 199.2, 304.6 ], [ 201.7, 294.6, 236.9, 304.6 ], [ 239.4, 294.6, 248.3, 304.6 ], [ 250.8, 294.6, 292.4, 304.6 ], [ 294.9, 294.6, 330, 304.6 ], [ 332.5, 294.6, 385.2, 304.6 ], [ 387.7, 294.6, 433.2, 304.6 ], [ 435.8, 291.6, 452.7, 304.6 ], [ 61.2, 327.1, 72.2, 336.1 ], [ 61.2, 340.3, 72.2, 349.3 ], [ 61.2, 353.5, 72.2, 362.5 ], [ 61.2, 366.7, 71.7, 375.7 ], [ 61.2, 379.9, 78.7, 388.9 ], [ 61.2, 393.1, 78.2, 402.1 ], [ 61.2, 406.3, 71.7, 415.3 ], [ 61.2, 419.5, 78.7, 428.5 ], [ 61.2, 432.7, 78.2, 441.7 ], [ 61.2, 445.9, 71.7, 454.9 ], [ 61.2, 459.1, 78.7, 468.1 ], [ 61.2, 472.3, 78.2, 481.3 ], [ 61.2, 485.5, 71.7, 494.5 ], [ 61.2, 498.7, 78.7, 507.7 ], [ 61.2, 511.9, 78.2, 520.9 ], [ 61.2, 525.1, 71.7, 534.1 ], [ 61.2, 538.3, 72.2, 547.3 ], [ 61.2, 551.5, 71.7, 560.5 ], [ 61.2, 564.7, 78.7, 573.7 ], [ 61.2, 577.9, 78.2, 586.9 ], [ 61.2, 591.1, 71.7, 600.1 ], [ 61.2, 604.3, 78.7, 613.3 ], [ 61.2, 617.5, 78.2, 626.5 ], [ 61.2, 630.7, 71.7, 639.7 ], [ 61.2, 643.9, 72.2, 652.9 ], [ 61.2, 657.1, 71.7, 666.1 ], [ 61.2, 670.3, 72.2, 679.3 ], [ 61.2, 683.5, 76.2, 692.5 ], [ 61.2, 696.7, 75.9, 705.7 ], [ 61.2, 709.9, 82.9, 718.9 ], [ 142.8, 313.3, 146.8, 322.3 ], [ 142.8, 327.1, 167.6, 336.1 ], [ 169.8, 327.1, 180.3, 336.1 ], [ 142.8, 340.3, 167.6, 349.3 ], [ 142.8, 353.5, 167.6, 362.5 ], [ 169.8, 353.5, 180.3, 362.5 ], [ 142.8, 366.7, 167.6, 375.7 ], [ 169.8, 366.7, 180.3, 375.7 ], [ 142.8, 379.9, 167.6, 388.9 ], [ 142.8, 393.1, 167.6, 402.1 ], [ 142.8, 406.3, 167.6, 415.3 ], [ 169.8, 406.3, 180.3, 415.3 ], [ 142.8, 419.5, 167.6, 428.5 ], [ 142.8, 432.7, 167.6, 441.7 ], [ 142.8, 445.9, 167.6, 454.9 ], [ 169.8, 445.9, 180.3, 454.9 ], [ 142.8, 459.1, 167.6, 468.1 ], [ 142.8, 472.3, 167.6, 481.3 ], [ 142.8, 485.5, 167.6, 494.5 ], [ 169.8, 485.5, 180.3, 494.5 ], [ 142.8, 498.7, 167.6, 507.7 ], [ 142.8, 511.9, 167.6, 520.9 ], [ 142.8, 525.1, 167.6, 534.1 ], [ 169.8, 525.1, 180.3, 534.1 ], [ 142.8, 538.3, 167.6, 547.3 ], [ 142.8, 551.5, 167.6, 560.5 ], [ 169.8, 551.5, 180.3, 560.5 ], [ 142.8, 564.7, 167.6, 573.7 ], [ 142.8, 577.9, 167.6, 586.9 ], [ 142.8, 591.1, 167.6, 600.1 ], [ 169.8, 591.1, 180.3, 600.1 ], [ 142.8, 604.3, 167.6, 613.3 ], [ 142.8, 617.5, 167.6, 626.5 ], [ 142.8, 630.7, 167.6, 639.7 ], [ 169.8, 630.7, 180.3, 639.7 ], [ 142.8, 643.9, 167.6, 652.9 ], [ 142.8, 657.1, 167.6, 666.1 ], [ 169.8, 657.1, 180.3, 666.1 ], [ 142.8, 670.3, 167.6, 679.3 ], [ 142.8, 683.5, 167.6, 692.5 ], [ 169.8, 683.5, 180.3, 692.5 ], [ 142.8, 696.7, 167.6, 705.7 ], [ 169.8, 696.7, 180.3, 705.7 ], [ 142.8, 709.9, 167.6, 718.9 ], [ 224.4, 313.3, 228.4, 322.3 ], [ 224.4, 327.1, 253.7, 336.1 ], [ 255.9, 327.1, 270.9, 336.1 ], [ 224.4, 340.3, 249.2, 349.3 ], [ 224.4, 353.5, 253.7, 362.5 ], [ 255.9, 353.5, 270.9, 362.5 ], [ 224.4, 366.7, 253.7, 375.7 ], [ 255.9, 366.7, 270.9, 375.7 ], [ 224.4, 379.9, 249.2, 388.9 ], [ 224.4, 393.1, 249.2, 402.1 ], [ 224.4, 406.3, 253.7, 415.3 ], [ 255.9, 406.3, 270.9, 415.3 ], [ 224.4, 419.5, 249.2, 428.5 ], [ 224.4, 432.7, 249.2, 441.7 ], [ 224.4, 445.9, 249.2, 454.9 ], [ 251.4, 445.9, 261.9, 454.9 ], [ 224.4, 459.1, 249.2, 468.1 ], [ 224.4, 472.3, 249.2, 481.3 ], [ 224.4, 485.5, 253.7, 494.5 ], [ 255.9, 485.5, 270.9, 494.5 ], [ 224.4, 498.7, 249.2, 507.7 ], [ 224.4, 511.9, 249.2, 520.9 ], [ 224.4, 525.1, 253.7, 534.1 ], [ 255.9, 525.1, 270.9, 534.1 ], [ 224.4, 538.3, 249.2, 547.3 ], [ 224.4, 551.5, 253.7, 560.5 ], [ 255.9, 551.5, 270.9, 560.5 ], [ 224.4, 564.7, 249.2, 573.7 ], [ 224.4, 577.9, 249.2, 586.9 ], [ 224.4, 591.1, 253.7, 600.1 ], [ 255.9, 591.1, 270.9, 600.1 ], [ 224.4, 604.3, 249.2, 613.3 ], [ 224.4, 617.5, 249.2, 626.5 ], [ 224.4, 630.7, 253.7, 639.7 ], [ 255.9, 630.7, 270.9, 639.7 ], [ 224.4, 643.9, 249.2, 652.9 ], [ 224.4, 657.1, 253.7, 666.1 ], [ 255.9, 657.1, 270.9, 666.1 ], [ 224.4, 670.3, 249.2, 679.3 ], [ 224.4, 683.5, 253.7, 692.5 ], [ 255.9, 683.5, 270.9, 692.5 ], [ 224.4, 696.7, 253.3, 705.7 ], [ 255.6, 696.7, 270.6, 705.7 ], [ 224.4, 709.9, 249.2, 718.9 ], [ 306, 313.3, 309.5, 322.3 ], [ 306, 327.1, 335.3, 336.1 ], [ 337.5, 327.1, 348, 336.1 ], [ 306, 340.3, 330.8, 349.3 ], [ 306, 353.5, 335.3, 362.5 ], [ 337.5, 353.5, 348, 362.5 ], [ 306, 366.7, 335.3, 375.7 ], [ 337.5, 366.7, 348, 375.7 ], [ 306, 379.9, 330.8, 388.9 ], [ 306, 393.1, 330.8, 402.1 ], [ 306, 406.3, 335.3, 415.3 ], [ 337.5, 406.3, 348, 415.3 ], [ 306, 419.5, 330.5, 428.5 ], [ 306, 432.7, 330.8, 441.7 ], [ 306, 445.9, 335.3, 454.9 ], [ 337.5, 445.9, 348, 454.9 ], [ 306, 459.1, 330.8, 468.1 ], [ 306, 472.3, 330.8, 481.3 ], [ 306, 485.5, 335.3, 494.5 ], [ 337.5, 485.5, 348, 494.5 ], [ 306, 498.7, 330.8, 507.7 ], [ 306, 511.9, 330.8, 520.9 ], [ 306, 525.1, 335.3, 534.1 ], [ 337.5, 525.1, 348, 534.1 ], [ 306, 538.3, 330.8, 547.3 ], [ 306, 551.5, 335.3, 560.5 ], [ 337.5, 551.5, 348, 560.5 ], [ 306, 564.7, 330.8, 573.7 ], [ 306, 577.9, 330.8, 586.9 ], [ 306, 591.1, 335.3, 600.1 ], [ 337.5, 591.1, 348, 600.1 ], [ 306, 604.3, 330.8, 613.3 ], [ 306, 617.5, 330.8, 626.5 ], [ 306, 630.7, 335.3, 639.7 ], [ 337.5, 630.7, 348, 639.7 ], [ 306, 643.9, 330.8, 652.9 ], [ 306, 657.1, 335.3, 666.1 ], [ 337.5, 657.1, 348, 666.1 ], [ 306, 670.3, 330.8, 679.3 ], [ 306, 683.5, 335.3, 692.5 ], [ 337.5, 683.5, 348, 692.5 ], [ 306, 696.7, 335.3, 705.7 ], [ 337.5, 696.7, 348, 705.7 ], [ 306, 709.9, 330.8, 718.9 ], [ 387.7, 312.8, 422.3, 322.9 ], [ 387.7, 327.1, 412.4, 336.1 ], [ 414.7, 327.1, 425.2, 336.1 ], [ 387.7, 340.3, 412.4, 349.3 ], [ 387.7, 353.5, 412.4, 362.5 ], [ 414.7, 353.5, 425.2, 362.5 ], [ 387.7, 366.7, 412.4, 375.7 ], [ 414.7, 366.7, 425.2, 375.7 ], [ 387.7, 379.9, 412.4, 388.9 ], [ 387.7, 393.1, 412.4, 402.1 ], [ 387.7, 406.3, 412.4, 415.3 ], [ 414.7, 406.3, 425.2, 415.3 ], [ 387.7, 419.5, 412.4, 428.5 ], [ 387.7, 432.7, 412.4, 441.7 ], [ 387.7, 445.9, 412.4, 454.9 ], [ 414.7, 445.9, 425.2, 454.9 ], [ 387.7, 459.1, 412.4, 468.1 ], [ 387.7, 472.3, 412.4, 481.3 ], [ 387.7, 485.5, 412.4, 494.5 ], [ 414.7, 485.5, 425.2, 494.5 ], [ 387.7, 498.7, 412.4, 507.7 ], [ 387.7, 511.9, 412.4, 520.9 ], [ 387.7, 525.1, 412.4, 534.1 ], [ 414.7, 525.1, 425.2, 534.1 ], [ 387.7, 538.3, 412.4, 547.3 ], [ 387.7, 551.5, 412.4, 560.5 ], [ 414.7, 551.5, 425.2, 560.5 ], [ 387.7, 564.7, 412.4, 573.7 ], [ 387.7, 577.9, 412.4, 586.9 ], [ 387.7, 591.1, 412.4, 600.1 ], [ 414.7, 591.1, 425.2, 600.1 ], [ 387.7, 604.3, 412.4, 613.3 ], [ 387.7, 617.5, 412.4, 626.5 ], [ 387.7, 630.7, 412.4, 639.7 ], [ 414.7, 630.7, 425.2, 639.7 ], [ 387.7, 643.9, 412.4, 652.9 ], [ 387.7, 657.1, 412.4, 666.1 ], [ 414.7, 657.1, 425.2, 666.1 ], [ 387.7, 670.3, 412.4, 679.3 ], [ 387.7, 683.5, 412.4, 692.5 ], [ 414.7, 683.5, 425.2, 692.5 ], [ 387.7, 696.7, 412.4, 705.7 ], [ 414.7, 696.7, 425.2, 705.7 ], [ 387.7, 709.9, 412.4, 718.9 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 2, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 44, 45, 46, 46, 47, 47, 48, 49, 50, 50, 51, 52, 53, 53, 54, 55, 56, 56, 57, 58, 59, 59, 60, 61, 61, 62, 63, 64, 64, 65, 66, 67, 67, 68, 69, 69, 70, 71, 71, 72, 72, 73, 74, 75, 75, 76, 77, 77, 78, 78, 79, 80, 81, 81, 82, 83, 84, 84, 85, 86, 87, 87, 88, 89, 90, 90, 91, 92, 92, 93, 94, 95, 95, 96, 97, 98, 98, 99, 100, 100, 101, 102, 102, 103, 103, 104, 105, 106, 106, 107, 108, 108, 109, 109, 110, 111, 112, 112, 113, 114, 115, 115, 116, 117, 118, 118, 119, 120, 121, 121, 122, 123, 123, 124, 125, 126, 126, 127, 128, 129, 129, 130, 131, 131, 132, 133, 133, 134, 134, 135, 136, 137, 137, 138, 139, 139, 140, 140, 141, 142, 143, 143, 144, 145, 146, 146, 147, 148, 149, 149, 150, 151, 152, 152, 153, 154, 154, 155, 156, 157, 157, 158, 159, 160, 160, 161, 162, 162, 163, 164, 164, 165, 165, 166, 167 ]

[ "Acta", "Crystallographica", "Section", "E", "Structure", "Reports", "Online", "ISSN", "1600-5368", "N-tert-Butyl-5a-androstane-17b-", "carboxamide", "Xin", "Yan,a", "Shiqing", "Xu,a", "Jingmei", "Wang,b", "Ying", "Chena", "and", "Peng", "Xiaa*", "aDepartment", "of", "Medicinal", "Chemistry,", "School", "of", "Pharmacy,", "Fudan", "University,", "Shanghai", "200032,", "People’s", "Republic", "of", "China,", "and", "bCenter", "of", "Analysis", "and", "Measurement,", "Fudan", "University,", "Shanghai", "200433,", "People’s", "Republic", "of", "China", "Correspondence", "e-mail:", "pxia@fudan.edu.cn", "Received", "10", "February", "2009;", "accepted", "18", "February", "2009", "Key", "indicators:", "single-crystal", "X-ray", "study;", "T", "=", "294", "K;", "mean", "(C–C)", "=", "0.003", "A˚;", "R", "factor", "=", "0.037;", "wR", "factor", "=", "0.068;", "data-to-parameter", "ratio", "=", "11.5.", "The", "title", "compound,", "C24H41NO,", "is", "a", "new", "derivative", "of", "the", "anti-", "HIV", "steroid", "17", "-(N-tert-butylaminocarbonyl)androst-4-en-3-", "one.", "There", "are", "four", "rings", "in", "the", "structure", "and", "these", "are", "trans-", "fused.", "The", "three", "six-membered", "rings", "exhibit", "chair", "conforma-", "tions,", "while", "the", "five-membered", "ring", "adopts", "an", "envelope", "conformation.", "Related", "literature", "For", "the", "anti-HIV", "activity", "of", "17", "-(N-tert-butylaminocarbonyl)-", "androst-4-en-3-one,", "see:", "Xia", "et", "al.", "(1999).", "For", "discussion", "of", "absolute", "configuration,", "see:", "Marker", "et", "al.", "(1940);", "Fieser", "&", "Fieser", "(1959);", "Throop", "&", "Tokes", "(1967);", "House", "(1972);", "Castro-", "Me´", "ndez", "et", "al.", "(2002).", "organic", "compounds", "Experimental", "Crystal", "data", "C24H41NO", "Mr", "=", "359.58", "Orthorhombic,", "P212121", "a", "=", "6.373", "(2)", "A˚", "b", "=", "12.802", "(4)", "A˚", "c", "=", "26.775", "(9)", "A˚", "Data", "collection", "Bruker", "SMART", "CCD", "area-detector", "diffractometer", "Absorption", "correction:", "multi-scan", "(SADABS;", "Sheldrick,", "1996)", "Tmin", "=", "0.990,", "Tmax", "=", "0.996", "Refinement", "R[F", "2", ">", "2", "(F", "2)]", "=", "0.037", "wR(F", "2)", "=", "0.068", "S", "=", "0.75", "2757", "reflections", "V", "=", "2184.3", "(12)", "A˚", "3", "Z", "=", "4", "Mo", "K", "radiation", "=", "0.07", "mm", "1", "T", "=", "294", "K", "0.15", "0.08", "0.06", "mm", "10583", "measured", "reflections", "2757", "independent", "reflections", "1433", "reflections", "with", "I", ">", "2", "(I)", "Rint", "=", "0.063", "240", "parameters", "H-atom", "parameters", "constrained", "max", "=", "0.10", "e", "A˚", "3", "min", "=", "0.12", "e", "A˚", "3", "Data", "collection:", "SMART", "(Bruker,", "2000);", "cell", "refinement:", "SAINT", "(Bruker,", "2000);", "data", "reduction:", "SAINT;", "program(s)", "used", "to", "solve", "structure:", "SHELXS97", "(Sheldrick,", "2008);", "program(s)", "used", "to", "refine", "structure:", "SHELXL97", "(Sheldrick,", "2008);", "molecular", "graphics:", "SHELXTL", "(Sheldrick,", "2008);", "software", "used", "to", "prepare", "material", "for", "publication:", "SHELXTL.", "The", "authors", "acknowledge", "the", "Center", "of", "Analysis", "and", "Measurement,", "Fudan", "University,", "for", "providing", "research", "facilities.", "Supplementary", "data", "and", "figures", "for", "this", "paper", "are", "available", "from", "the", "IUCr", "electronic", "archives", "(Reference:", "TK2372).", "References", "Bruker", "(2000).", "SMART", "and", "SAINT.", "Bruker", "AXS", "Inc.,", "Madison,", "Wisconsin,", "USA.", "Castro-M", "e´ndez,", "A.,", "Sandoval-Ramı´rez,", "J.", "&", "Bern", "e`s,", "S.", "(2002).", "Acta", "Cryst.", "E58,", "o606–o608.", "Fieser,", "L.", "F.", "&", "Fieser,", "M.", "(1959).", "Steroids,", "pp.", "331–340.", "New", "York:", "Reinhold", "Publising", "Corporation.", "House,", "H.", "O.", "(1972).", "Modern", "Synthetic", "Reactions,", "2nd", "ed,", "p.", "13.", "London:", "Benjamin", "WA.", "Marker,", "R.", "E.,", "Tsukamoto,", "T.", "&", "Turner,", "D.", "L.", "(1940).", "J.", "Am.", "Chem.", "Soc.", "62,", "2525–2532.", "Sheldrick,", "G.", "M.", "(1996).", "SADABS.", "University", "of", "Go¨", "ttingen,", "Germany.", "Sheldrick,", "G.", "M.", "(2008).", "Acta", "Cryst.", "A64,", "112–122.", "Throop,", "L.", "J.", "&", "Tokes,", "L.", "(1967).", "J.", "Am.", "Chem.", "Soc.", "89,", "4789–4790.", "Xia,", "P.,", "Yang,", "Z.", "Y.,", "Xia,", "Y.,", "Zheng,", "Y.", "Q.,", "Cosentino,", "L.", "M.", "&", "Lee,", "K.", "H.", "(1999).", "Bioorg.", "Med.", "Chem.", "7,", "1907–1911.", "Acta", "Cryst.", "(2009).", "E65,", "o587", "doi:10.1107/S1600536809005741", "Yan", "et", "al.", "o587" ]

[ [ 44.8, 71, 58.1, 78 ], [ 60.5, 71, 111.9, 78 ], [ 114.2, 71, 135.9, 78 ], [ 138.3, 71, 141.7, 78 ], [ 44.8, 80.9, 85.2, 90.8 ], [ 88.5, 80.9, 121.6, 90.8 ], [ 44.8, 92.8, 74.5, 102.8 ], [ 44.8, 108.8, 58.9, 115.8 ], [ 61.3, 108.8, 94.3, 115.8 ], [ 44.8, 135.6, 241.6, 149.8 ], [ 44.8, 151.8, 123.6, 165.8 ], [ 44.8, 180.5, 59.2, 190.4 ], [ 62.5, 178.5, 85.6, 190.4 ], [ 88.9, 180.5, 121, 190.4 ], [ 124.3, 178.5, 142.5, 190.4 ], [ 145.8, 180.5, 178.4, 190.4 ], [ 181.8, 178.5, 214.1, 190.4 ], [ 217.5, 180.5, 236.8, 190.4 ], [ 240.1, 178.5, 266.5, 190.4 ], [ 269.9, 180.5, 285.8, 190.4 ], [ 44.8, 193.4, 65.8, 203.4 ], [ 69.2, 191.5, 91.2, 203.4 ], [ 44.8, 213.9, 82.5, 222.1 ], [ 84.9, 215.1, 90.7, 222.1 ], [ 93, 215.1, 122.8, 222.1 ], [ 125.1, 215.1, 157.1, 222.1 ], [ 159.4, 215.1, 179.7, 222.1 ], [ 182, 215.1, 187.8, 222.1 ], [ 190.1, 215.1, 221.7, 222.1 ], [ 224, 215.1, 242.4, 222.1 ], [ 244.8, 215.1, 277.2, 222.1 ], [ 44.8, 225.1, 71.9, 232.1 ], [ 74.3, 225.1, 99.7, 232.1 ], [ 102, 225.1, 126.9, 232.1 ], [ 129.2, 225.1, 155.6, 232.1 ], [ 157.9, 225.1, 163.7, 232.1 ], [ 166, 225.1, 185.9, 232.1 ], [ 188.2, 225.1, 199.3, 232.1 ], [ 201.7, 223.9, 223.9, 232.1 ], [ 226.3, 225.1, 232, 232.1 ], [ 234.4, 225.1, 258.7, 232.1 ], [ 261.1, 225.1, 272.2, 232.1 ], [ 44.8, 235.1, 87.2, 242.1 ], [ 89.5, 235.1, 107.9, 242.1 ], [ 110.2, 235.1, 142.6, 242.1 ], [ 144.9, 235.1, 172.1, 242.1 ], [ 174.4, 235.1, 199.7, 242.1 ], [ 202.1, 235.1, 226.9, 242.1 ], [ 229.3, 235.1, 255.7, 242.1 ], [ 258.1, 235.1, 263.8, 242.1 ], [ 266.1, 235.1, 283.7, 242.1 ], [ 44.8, 245, 93.4, 252 ], [ 95.8, 245, 116.6, 252 ], [ 118.9, 245, 176.8, 252 ], [ 44.8, 264, 71.8, 270.9 ], [ 74.2, 264, 81.9, 270.9 ], [ 84.2, 264, 110.1, 270.9 ], [ 112.5, 264, 130.1, 270.9 ], [ 132.5, 264, 159.1, 270.9 ], [ 161.5, 264, 169.2, 270.9 ], [ 171.5, 264, 197.4, 270.9 ], [ 199.8, 264, 215.2, 270.9 ], [ 44.8, 282.9, 55.9, 289.9 ], [ 58.2, 282.9, 89.4, 289.9 ], [ 91.8, 282.9, 130.1, 289.9 ], [ 132.5, 282.9, 148.1, 289.9 ], [ 150.5, 282.9, 168.4, 289.9 ], [ 170.8, 282.9, 174.5, 289.9 ], [ 176.8, 282.9, 181, 289.9 ], [ 183.3, 282.9, 194.9, 289.9 ], [ 196.7, 282.9, 203.1, 289.9 ], [ 205.5, 282.9, 221.9, 289.9 ], [ 228.2, 282.9, 245.2, 289.9 ], [ 247.6, 282.9, 251.8, 289.9 ], [ 254.1, 282.9, 271.7, 289.9 ], [ 273.5, 281.9, 280.3, 289.9 ], [ 44.8, 292.9, 49.1, 299.8 ], [ 51.4, 292.9, 68.1, 299.8 ], [ 70.4, 292.9, 74.6, 299.8 ], [ 77, 292.9, 96.9, 299.8 ], [ 99.2, 292.9, 108.9, 299.8 ], [ 111.2, 292.9, 127.9, 299.8 ], [ 130.3, 292.9, 134.5, 299.8 ], [ 136.9, 292.9, 156.7, 299.8 ], [ 159.1, 292.9, 211.6, 299.8 ], [ 214, 292.9, 227.2, 299.8 ], [ 229.6, 292.9, 233.8, 299.8 ], [ 236.1, 292.9, 252.2, 299.8 ], [ 44.8, 323, 60.6, 333 ], [ 62.8, 323, 78.8, 333 ], [ 81, 323, 126.3, 333 ], [ 128.5, 323, 172.9, 333.7 ], [ 175, 323, 181.2, 333 ], [ 183.4, 323, 188.1, 333 ], [ 190.2, 323, 206.7, 333 ], [ 208.9, 323, 249.3, 333 ], [ 251.5, 323, 259.8, 333 ], [ 262, 323, 275, 333 ], [ 277.2, 323, 295.8, 333 ], [ 44.8, 335, 63.4, 344.9 ], [ 67.7, 335, 95.7, 344.9 ], [ 100.1, 335, 109.4, 344.9 ], [ 115.1, 334.8, 295.8, 344.9 ], [ 44.8, 346.9, 61.9, 356.9 ], [ 64.7, 346.9, 88.7, 356.9 ], [ 91.6, 346.9, 104.5, 356.9 ], [ 107.3, 346.9, 124.5, 356.9 ], [ 127.3, 346.9, 147, 356.9 ], [ 149.8, 346.9, 157.5, 356.9 ], [ 160.4, 346.9, 173.3, 356.9 ], [ 176.1, 346.9, 212.4, 356.9 ], [ 215.3, 346.9, 230.3, 356.9 ], [ 233.2, 346.9, 254.4, 356.9 ], [ 257.3, 346.9, 270.2, 356.9 ], [ 273, 346.8, 295.9, 356.9 ], [ 44.8, 358.9, 68.9, 368.8 ], [ 72.1, 358.9, 87.9, 368.8 ], [ 91.1, 358.9, 112.3, 368.8 ], [ 115.6, 358.9, 173, 368.8 ], [ 176.3, 358.9, 195.9, 368.8 ], [ 199.2, 358.9, 227.2, 368.8 ], [ 230.4, 358.9, 250.6, 368.8 ], [ 253.9, 358.9, 295.8, 368.8 ], [ 44.8, 370.8, 66.3, 380.7 ], [ 72.6, 370.8, 94.3, 380.7 ], [ 100.6, 370.8, 113.5, 380.7 ], [ 119.8, 370.8, 180.9, 380.7 ], [ 187.2, 370.8, 203.3, 380.7 ], [ 209.6, 370.8, 236.5, 380.7 ], [ 242.9, 370.8, 252.7, 380.7 ], [ 259, 370.8, 295.9, 380.7 ], [ 44.8, 382.7, 102.1, 392.7 ], [ 44.8, 412.4, 78.9, 422.9 ], [ 82.4, 412.4, 124.6, 422.9 ], [ 44.8, 428.6, 58.8, 438.6 ], [ 61.5, 428.6, 74.5, 438.6 ], [ 77.2, 428.6, 114.5, 438.6 ], [ 116.1, 428.6, 145.6, 438.6 ], [ 148.4, 428.6, 156.7, 438.6 ], [ 159.4, 428.6, 168.7, 438.6 ], [ 174.3, 428.5, 295.8, 438.6 ], [ 44.8, 440.5, 124.3, 450.5 ], [ 128.5, 440.5, 143.8, 450.5 ], [ 148, 440.5, 162.6, 450.5 ], [ 166.8, 440.4, 173.5, 450.4 ], [ 177.7, 440.4, 187.3, 450.4 ], [ 191.5, 440.5, 219.8, 450.5 ], [ 224.1, 440.5, 238, 450.5 ], [ 242.3, 440.5, 283.2, 450.5 ], [ 287.5, 440.5, 295.8, 450.5 ], [ 44.8, 452.5, 79, 462.4 ], [ 83.8, 452.5, 140.1, 462.4 ], [ 144.9, 452.5, 160.1, 462.4 ], [ 164.9, 452.5, 195.4, 462.4 ], [ 200.1, 452.4, 206.9, 462.3 ], [ 211.6, 452.4, 221.2, 462.3 ], [ 225.9, 452.5, 254.2, 462.4 ], [ 258.9, 452.5, 283.4, 462.4 ], [ 288.2, 452.5, 295.8, 462.4 ], [ 44.8, 464.4, 69.4, 474.4 ], [ 72.3, 464.4, 100.6, 474.4 ], [ 103.5, 464.4, 133.9, 474.4 ], [ 136.7, 464.4, 144.4, 474.4 ], [ 147.3, 464.4, 171.3, 474.4 ], [ 174.2, 464.4, 202.5, 474.4 ], [ 205.4, 464.4, 231.7, 474.4 ], [ 234.7, 464.4, 262.9, 474.4 ], [ 265.8, 464.4, 295.8, 474.4 ], [ 44.8, 476.1, 58.2, 486.4 ], [ 58.2, 476.4, 77.4, 486.4 ], [ 80.4, 476.3, 87.2, 486.3 ], [ 90.2, 476.3, 99.7, 486.3 ], [ 102.8, 476.4, 131, 486.4 ], [ 426.2, 35.9, 478.3, 51.8 ], [ 483.6, 35.9, 563.6, 51.8 ], [ 313.8, 70.9, 373.4, 81.3 ], [ 313.8, 87.6, 339.3, 96.6 ], [ 342.1, 87.6, 357.5, 96.6 ], [ 313.8, 101.7, 347.9, 110.3 ], [ 313.8, 110.6, 322.9, 119.2 ], [ 325.2, 110.7, 329.7, 118.6 ], [ 332.1, 110.7, 352.6, 118.6 ], [ 313.8, 119.7, 362.2, 127.7 ], [ 364.5, 119.6, 389.1, 128.8 ], [ 313.8, 128.6, 317.5, 136.5 ], [ 319.9, 128.6, 324.4, 136.6 ], [ 326.8, 128.6, 343.5, 136.6 ], [ 345.9, 128.6, 355.5, 136.6 ], [ 357.8, 126.5, 364.1, 136.6 ], [ 313.8, 137.5, 317.9, 145.5 ], [ 320.4, 137.6, 324.9, 145.6 ], [ 327.2, 137.6, 347.7, 145.6 ], [ 350.1, 137.6, 359.6, 145.6 ], [ 362, 135.5, 368.2, 145.6 ], [ 313.8, 146.5, 317.1, 154.4 ], [ 319.5, 146.6, 324, 154.5 ], [ 326.4, 146.6, 346.9, 154.5 ], [ 349.2, 146.6, 358.8, 154.5 ], [ 361.1, 144.5, 367.4, 154.5 ], [ 313.8, 165.6, 331.4, 174.6 ], [ 334.1, 165.6, 368.6, 174.6 ], [ 313.8, 179.7, 336.9, 187.6 ], [ 338.8, 179.7, 366.5, 187.6 ], [ 368.3, 179.7, 385.1, 187.6 ], [ 386.9, 179.7, 430.4, 187.6 ], [ 321.8, 188.6, 368.5, 196.6 ], [ 313.8, 197.6, 351.1, 205.6 ], [ 353.5, 197.6, 388.5, 205.6 ], [ 390.8, 197.6, 424.3, 205.6 ], [ 321.8, 206.5, 357.8, 214.6 ], [ 360.2, 206.6, 392.7, 214.6 ], [ 395, 206.6, 412.9, 214.6 ], [ 321.8, 215.5, 335.7, 224.1 ], [ 338, 215.6, 342.5, 223.5 ], [ 344.9, 215.6, 363.4, 223.5 ], [ 365.8, 215.5, 380.6, 224.1 ], [ 383, 215.6, 387.4, 223.5 ], [ 389.8, 215.6, 406.6, 223.5 ], [ 313.8, 234.6, 354.2, 243.6 ], [ 313.8, 248.6, 326.2, 256.6 ], [ 327.2, 247.5, 329.9, 252.6 ], [ 332.2, 248.7, 336.7, 256.6 ], [ 339.1, 248.7, 342.8, 256.6 ], [ 347.4, 248.6, 354.8, 256.6 ], [ 355.8, 247.5, 363.9, 256.6 ], [ 366.3, 248.7, 370.8, 256.6 ], [ 373.2, 248.7, 389.9, 256.6 ], [ 313.8, 257.5, 331.9, 265.6 ], [ 332.8, 256.4, 338.5, 265.6 ], [ 340.8, 257.6, 345.3, 265.6 ], [ 347.7, 257.6, 364.4, 265.6 ], [ 313.8, 266.5, 317.9, 274.5 ], [ 320.4, 266.6, 324.9, 274.6 ], [ 327.2, 266.6, 340.2, 274.6 ], [ 313.8, 275.6, 328.7, 283.6 ], [ 331.1, 275.6, 364.7, 283.6 ], [ 448.3, 101.6, 453.6, 109.6 ], [ 456, 101.7, 460.5, 109.7 ], [ 462.8, 101.7, 483.3, 109.7 ], [ 485.7, 101.7, 498.9, 109.7 ], [ 501.3, 99.7, 507.6, 109.7 ], [ 507.6, 100.5, 510.3, 105.6 ], [ 448.3, 110.6, 453.6, 118.6 ], [ 456, 110.7, 460.5, 118.6 ], [ 462.8, 110.7, 466.6, 118.6 ], [ 448.3, 119.7, 459.4, 127.7 ], [ 461.8, 119.6, 467.6, 127.6 ], [ 474.5, 119.7, 503.9, 127.7 ], [ 456.1, 128.6, 460.6, 136.6 ], [ 463, 128.6, 476, 136.6 ], [ 478.3, 128.6, 490.6, 136.6 ], [ 495, 127.4, 497.7, 132.5 ], [ 448.3, 137.5, 453.3, 145.5 ], [ 455.7, 137.6, 460.2, 145.6 ], [ 462.6, 137.6, 473.7, 145.6 ], [ 476.1, 137.6, 481.9, 145.6 ], [ 448.3, 146.6, 461.3, 154.5 ], [ 472.3, 146.6, 485.3, 154.5 ], [ 496.3, 146.6, 509.3, 154.5 ], [ 511.7, 146.6, 524, 154.5 ], [ 448.3, 179.7, 467, 187.6 ], [ 469.4, 179.7, 500.8, 187.6 ], [ 503.1, 179.7, 536.7, 187.6 ], [ 448.3, 188.6, 463.2, 196.6 ], [ 465.6, 188.6, 506.2, 196.6 ], [ 508.6, 188.6, 542.2, 196.6 ], [ 448.3, 197.6, 463.2, 205.6 ], [ 465.6, 197.6, 499.2, 205.6 ], [ 501.5, 197.6, 515.5, 205.6 ], [ 517.9, 197.5, 520.8, 205.5 ], [ 523.2, 197.6, 527.7, 205.6 ], [ 530.1, 197.6, 533.8, 205.6 ], [ 538.4, 197.5, 547, 205.6 ], [ 448.3, 206.5, 459.9, 215.1 ], [ 462.3, 206.6, 466.8, 214.6 ], [ 469.1, 206.6, 485.9, 214.6 ], [ 448.3, 248.7, 459.5, 256.6 ], [ 461.9, 248.7, 498.3, 256.6 ], [ 448.3, 257.6, 473.4, 265.6 ], [ 475.8, 257.6, 512.2, 265.6 ], [ 514.5, 257.6, 552.2, 265.6 ], [ 459, 270.1, 468.8, 275.2 ], [ 471.2, 266.6, 475.7, 274.6 ], [ 478, 266.6, 491, 274.6 ], [ 493.4, 266.6, 497.1, 274.6 ], [ 499.5, 264.5, 505.7, 274.6 ], [ 510.1, 265.4, 512.8, 270.5 ], [ 459, 279, 467.9, 284.1 ], [ 470.3, 275.6, 474.7, 283.6 ], [ 483.3, 275.6, 496.3, 283.6 ], [ 498.6, 275.6, 502.3, 283.6 ], [ 504.7, 273.5, 511, 283.6 ], [ 515.4, 274.4, 518.1, 279.5 ], [ 323.8, 308.2, 341.9, 317.1 ], [ 344.9, 308.2, 382.3, 317.1 ], [ 385.3, 308.1, 416, 317 ], [ 418.9, 308.2, 450.2, 317.1 ], [ 453.1, 308.2, 475.2, 317.1 ], [ 478.1, 308.2, 490.7, 317.1 ], [ 493.7, 308.2, 535.3, 317.1 ], [ 538.2, 308.1, 564.8, 317 ], [ 313.8, 319.2, 345.1, 328.1 ], [ 349.1, 319.2, 371.2, 328.1 ], [ 375.2, 319.2, 391.1, 328.1 ], [ 395.1, 319.2, 432.2, 328.1 ], [ 436.2, 319.1, 464.9, 328.1 ], [ 468.9, 319.2, 509.8, 328.1 ], [ 513.9, 319.2, 530.7, 328.1 ], [ 534.7, 319.2, 542.2, 328.1 ], [ 546.2, 319.2, 564.8, 328.1 ], [ 313.8, 330.1, 348.5, 339.1 ], [ 352.1, 330, 395.2, 339 ], [ 398.8, 330.1, 438.6, 339.1 ], [ 442.3, 330.1, 464.4, 339.1 ], [ 467.9, 330.1, 508.9, 339.1 ], [ 512.5, 330.1, 529.3, 339.1 ], [ 532.9, 330.1, 540.3, 339.1 ], [ 543.9, 330.1, 564.8, 339.1 ], [ 313.8, 341, 348.5, 350 ], [ 356.8, 340.9, 401.2, 349.9 ], [ 409.5, 341, 449.3, 350 ], [ 457.6, 341, 479.7, 350 ], [ 487.9, 341, 524.2, 350 ], [ 532.5, 341, 564.8, 350 ], [ 313.8, 351.9, 355.4, 360.9 ], [ 358.3, 352, 398.1, 361 ], [ 400.9, 352, 423, 361 ], [ 425.9, 352, 457, 361 ], [ 459.9, 352, 476.7, 361 ], [ 479.5, 352, 487, 361 ], [ 489.8, 352, 518.2, 361 ], [ 521.1, 352, 551.3, 361 ], [ 554.1, 352, 564.8, 361 ], [ 313.8, 363, 356.9, 372 ], [ 359.7, 362.9, 403.4, 372 ], [ 323.8, 385.9, 339.6, 395.8 ], [ 345.7, 385.9, 376.3, 395.8 ], [ 382.4, 385.9, 435.2, 395.8 ], [ 441.4, 385.9, 454.4, 395.8 ], [ 460.5, 385.9, 488.4, 395.8 ], [ 494.5, 385.9, 502.8, 395.8 ], [ 508.9, 385.9, 543.7, 395.8 ], [ 549.8, 385.9, 564.8, 395.8 ], [ 313.8, 397.8, 371.9, 407.8 ], [ 379.6, 397.8, 405.5, 407.8 ], [ 413.1, 397.8, 457.1, 407.8 ], [ 464.6, 397.8, 476.5, 407.8 ], [ 484, 397.8, 523, 407.8 ], [ 530.6, 397.8, 564.8, 407.8 ], [ 313.8, 409.8, 349.4, 419.8 ], [ 313.8, 436, 366.1, 444.5 ], [ 369.8, 436, 384.8, 444.5 ], [ 388.4, 436, 401.2, 444.5 ], [ 404.8, 436, 427.7, 444.5 ], [ 431.3, 436, 441.4, 444.5 ], [ 445.1, 436, 457.4, 444.5 ], [ 461, 436, 480.8, 444.5 ], [ 484.5, 436, 495.5, 444.5 ], [ 499.1, 436, 529.9, 444.5 ], [ 533.6, 436, 550.2, 444.5 ], [ 553.8, 436, 564.8, 444.5 ], [ 313.8, 445.5, 332.1, 453.9 ], [ 334.7, 445.5, 368.6, 453.9 ], [ 371.2, 445.5, 399.4, 453.9 ], [ 402, 445.5, 442.7, 453.9 ], [ 445.3, 445.5, 477.7, 453.9 ], [ 313.8, 472.5, 363.6, 482.9 ], [ 313.8, 487.9, 336.9, 495.8 ], [ 339.5, 487.9, 362, 495.8 ], [ 364.6, 487.8, 391.8, 495.7 ], [ 394.4, 487.9, 406.4, 495.8 ], [ 408.9, 487.8, 434.3, 495.8 ], [ 436.9, 487.9, 460.1, 495.8 ], [ 462.6, 487.9, 478.8, 495.8 ], [ 481.3, 487.9, 495.2, 495.8 ], [ 497.8, 487.9, 527.8, 495.8 ], [ 530.3, 487.9, 564.9, 495.8 ], [ 321.8, 496.9, 340.1, 504.8 ], [ 313.8, 505.8, 344.7, 513.8 ], [ 344.7, 505.5, 365.6, 513.8 ], [ 367.3, 505.8, 377.1, 513.8 ], [ 378.8, 505.5, 440.5, 513.8 ], [ 442.2, 505.8, 446.7, 513.8 ], [ 448.3, 505.8, 454.5, 513.8 ], [ 456.2, 505.8, 472.2, 513.8 ], [ 472.2, 505.5, 480.3, 513.8 ], [ 481.9, 505.8, 487.5, 513.8 ], [ 489.1, 505.8, 511.7, 513.8 ], [ 513.4, 505.7, 528.3, 513.7 ], [ 529.9, 505.7, 548.6, 513.7 ], [ 550.3, 505.8, 564.9, 513.8 ], [ 321.8, 514.8, 358, 522.8 ], [ 313.8, 523.7, 335.3, 531.7 ], [ 337.7, 523.7, 344.5, 531.7 ], [ 347, 523.7, 352.5, 531.7 ], [ 355.1, 523.7, 361.2, 531.7 ], [ 363.7, 523.7, 385.2, 531.7 ], [ 387.6, 523.7, 396.4, 531.7 ], [ 398.9, 523.7, 421.4, 531.7 ], [ 423.9, 523.6, 451.4, 531.7 ], [ 453.9, 523.7, 463.8, 531.7 ], [ 466.2, 523.7, 494.2, 531.7 ], [ 496.7, 523.7, 511.5, 531.7 ], [ 514, 523.7, 532.2, 531.7 ], [ 534.7, 523.7, 564.9, 531.7 ], [ 321.8, 532.7, 351.6, 540.7 ], [ 354, 532.7, 395.9, 540.7 ], [ 313.8, 541.7, 336.4, 549.6 ], [ 340, 541.7, 348, 549.6 ], [ 351.5, 541.7, 358.9, 549.6 ], [ 362.4, 541.7, 385, 549.6 ], [ 388.5, 541.6, 414.1, 549.5 ], [ 417.6, 541.6, 446.6, 549.5 ], [ 450.1, 541.6, 482.9, 549.6 ], [ 486.5, 541.7, 498.5, 549.6 ], [ 502.1, 541.7, 511.8, 549.6 ], [ 515.3, 541.7, 521, 549.6 ], [ 524.6, 541.7, 533.9, 549.6 ], [ 537.4, 541.7, 564.9, 549.6 ], [ 321.8, 550.6, 353.1, 558.6 ], [ 355.5, 550.6, 370.2, 558.6 ], [ 313.8, 559.6, 339.9, 567.6 ], [ 342.4, 559.6, 350.1, 567.6 ], [ 352.6, 559.6, 361.5, 567.6 ], [ 364, 559.6, 402.4, 567.6 ], [ 404.8, 559.6, 411, 567.6 ], [ 413.5, 559.6, 419.7, 567.6 ], [ 422.1, 559.6, 445.9, 567.6 ], [ 448.3, 559.6, 455.7, 567.6 ], [ 458.2, 559.6, 465, 567.6 ], [ 467.6, 559.6, 490.1, 567.6 ], [ 492.6, 559.5, 497.7, 567.5 ], [ 500.2, 559.5, 514, 567.5 ], [ 516.5, 559.5, 537.2, 567.5 ], [ 539.7, 559.5, 553.1, 567.5 ], [ 555.6, 559.6, 564.9, 567.6 ], [ 321.8, 568.6, 357.1, 576.6 ], [ 313.8, 577.5, 346.3, 585.5 ], [ 348.7, 577.5, 356, 585.5 ], [ 358.4, 577.5, 367.2, 585.5 ], [ 369.6, 577.5, 392.1, 585.5 ], [ 394.5, 577.4, 427.6, 585.5 ], [ 430, 577.5, 463.8, 585.5 ], [ 466.2, 577.5, 472.9, 585.5 ], [ 475.3, 577.4, 485.5, 585.5 ], [ 485.5, 577.5, 510.1, 585.5 ], [ 512.5, 577.5, 544.2, 585.5 ], [ 313.8, 586.5, 346.3, 594.5 ], [ 348.7, 586.5, 356, 594.5 ], [ 358.4, 586.5, 367.2, 594.5 ], [ 369.6, 586.5, 392.1, 594.5 ], [ 394.5, 586.4, 409.5, 594.4 ], [ 411.8, 586.4, 430.6, 594.4 ], [ 432.9, 586.5, 448.4, 594.5 ], [ 450.8, 586.5, 478.7, 594.5 ], [ 313.8, 595.5, 339.5, 603.4 ], [ 342, 595.5, 348.8, 603.4 ], [ 351.2, 595.5, 355.6, 603.4 ], [ 358, 595.5, 364.2, 603.4 ], [ 366.5, 595.5, 387.1, 603.4 ], [ 389.4, 595.5, 396.2, 603.4 ], [ 398.6, 595.5, 421.2, 603.4 ], [ 423.6, 595.4, 428.7, 603.3 ], [ 431, 595.4, 444.8, 603.3 ], [ 447.2, 595.4, 467.9, 603.3 ], [ 470.3, 595.4, 483.7, 603.3 ], [ 486.1, 595.5, 495.3, 603.4 ], [ 497.8, 595.5, 533.1, 603.4 ], [ 313.8, 604.4, 327.2, 612.4 ], [ 330.4, 604.4, 337.3, 612.4 ], [ 340.4, 604.4, 358.9, 612.4 ], [ 362, 604.4, 369.1, 612.4 ], [ 372.2, 604.4, 380.8, 612.4 ], [ 383.9, 604.4, 397.4, 612.4 ], [ 400.4, 604.4, 409.1, 612.4 ], [ 412.1, 604.4, 435, 612.4 ], [ 438, 604.4, 444.8, 612.4 ], [ 447.9, 604.4, 457.4, 612.4 ], [ 460.5, 604.4, 495.1, 612.4 ], [ 498.2, 604.4, 505, 612.4 ], [ 508.1, 604.4, 516.9, 612.4 ], [ 519.9, 604.4, 526.1, 612.4 ], [ 529.1, 604.4, 543.1, 612.4 ], [ 546.2, 604.4, 553.9, 612.4 ], [ 557, 604.4, 564.9, 612.4 ], [ 321.8, 613.4, 344.3, 621.4 ], [ 346.7, 613.3, 370.8, 621.3 ], [ 373.2, 613.3, 389.5, 621.3 ], [ 391.8, 613.3, 412.5, 621.3 ], [ 414.9, 613.4, 420.4, 621.4 ], [ 422.8, 613.4, 458.2, 621.4 ], [ 44.8, 764.9, 60.4, 772.9 ], [ 63, 764.9, 82.5, 772.9 ], [ 85.1, 764.9, 109.6, 772.9 ], [ 112.1, 764.9, 127.4, 773.1 ], [ 130.1, 764.9, 147.6, 772.9 ], [ 261.2, 764.9, 379.9, 772.9 ], [ 493.5, 764.9, 506.6, 772.9 ], [ 509.2, 764.9, 515.4, 772.9 ], [ 518.1, 764.9, 526.5, 772.9 ], [ 538.5, 762.1, 564.9, 774.1 ] ]

[ 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 9, 9, 9, 9, 9, 9, 9, 9, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 8, 8, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 9, 9, 9, 9, 9, 2, 2, 2, 2, 11 ]

[ 0, 0, 0, 0, 0, 0, 0, 1, 1, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 11, 12, 12, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 14, 14, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 23, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 25, 25, 25, 25, 25, 26, 27, 27, 27, 28 ]

[ 0, 0, 0, 0, 1, 1, 2, 3, 3, 4, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 16, 16, 16, 16, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 18, 18, 18, 18, 18, 18, 18, 18, 19, 19, 19, 19, 19, 19, 19, 19, 20, 21, 21, 22, 22, 22, 22, 22, 22, 22, 23, 23, 23, 23, 23, 23, 23, 23, 23, 24, 24, 24, 24, 24, 24, 24, 24, 24, 25, 25, 25, 25, 25, 25, 25, 25, 25, 26, 26, 26, 26, 26, 27, 27, 28, 29, 29, 30, 31, 31, 31, 32, 32, 33, 33, 33, 33, 33, 34, 34, 34, 34, 34, 35, 35, 35, 35, 35, 36, 36, 37, 37, 37, 37, 38, 39, 39, 39, 40, 40, 40, 41, 41, 41, 41, 41, 41, 42, 43, 43, 43, 43, 43, 43, 43, 43, 44, 44, 44, 44, 45, 45, 45, 46, 46, 47, 47, 47, 47, 47, 47, 48, 48, 48, 49, 49, 49, 50, 50, 50, 50, 51, 51, 51, 51, 52, 52, 52, 52, 53, 53, 53, 54, 54, 54, 55, 55, 55, 55, 55, 55, 55, 56, 56, 56, 57, 57, 58, 58, 58, 59, 59, 59, 59, 59, 59, 60, 60, 60, 60, 60, 60, 61, 61, 61, 61, 61, 61, 61, 61, 62, 62, 62, 62, 62, 62, 62, 62, 62, 63, 63, 63, 63, 63, 63, 63, 63, 64, 64, 64, 64, 64, 64, 65, 65, 65, 65, 65, 65, 65, 65, 65, 66, 66, 67, 67, 67, 67, 67, 67, 67, 67, 68, 68, 68, 68, 68, 68, 69, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 71, 71, 71, 71, 71, 72, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 74, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 76, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 78, 78, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 80, 80, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 82, 83, 83, 83, 83, 83, 83, 83, 83, 83, 83, 84, 84, 84, 84, 84, 84, 84, 84, 85, 85, 85, 85, 85, 85, 85, 85, 85, 85, 85, 85, 85, 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, 86, 87, 87, 87, 87, 87, 87, 88, 88, 88, 88, 88, 89, 90, 90, 90, 91 ]

[ "supplementary", "materials", "C4—C5—C10—C19", "C6—C5—C10—C1", "C4—C5—C10—C1", "C6—C5—C10—C9", "C4—C5—C10—C9", "C11—C9—C10—C19", "C8—C9—C10—C19", "C11—C9—C10—C1", "C8—C9—C10—C1", "C11—C9—C10—C5", "C8—C9—C10—C5", "C8—C9—C11—C12", "C10—C9—C11—C12", "C9—C11—C12—C13", "C11—C12—C13—C14", "63.0", "(2)", "173.94", "(18)", "−55.9", "(2)", "54.5", "(2)", "−175.31", "(19)", "−61.5", "(2)", "67.1", "(2)", "59.2", "(2)", "−172.21", "(16)", "175.74", "(18)", "−55.7", "(2)", "48.2", "(2)", "176.84", "(18)", "−53.2", "(2)", "57.1", "(2)", "C14—C13—C17—C20", "C18—C13—C17—C20", "C12—C13—C17—C16", "C14—C13—C17—C16", "C18—C13—C17—C16", "C21—N1—C20—O1", "C21—N1—C20—C17", "C16—C17—C20—O1", "C13—C17—C20—O1", "C16—C17—C20—N1", "C13—C17—C20—N1", "C20—N1—C21—C23", "C20—N1—C21—C24", "C20—N1—C21—C22", "−162.6", "(2)", "−44.0", "(2)", "−154.74", "(18)", "−38.70", "(19)", "79.89", "(18)", "−4.2", "(3)", "172.60", "(17)", "−26.4", "(3)", "92.6", "(3)", "156.77", "(17)", "−84.2", "(2)", "−178.2", "(2)", "62.9", "(3)", "−58.5", "(3)", "sup-8" ]

[ [ 60, 37.4, 162.8, 53.4 ], [ 167.2, 37.4, 231.2, 53.4 ], [ 61.2, 74.2, 139.2, 83.2 ], [ 61.2, 87.4, 134.7, 96.4 ], [ 61.2, 100.6, 134.7, 109.6 ], [ 61.2, 113.8, 134.7, 122.8 ], [ 61.2, 127, 134.7, 136 ], [ 61.2, 140.2, 143.3, 149.2 ], [ 61.2, 153.4, 139.2, 162.4 ], [ 61.2, 166.6, 138.8, 175.6 ], [ 61.2, 179.8, 134.7, 188.8 ], [ 61.2, 193, 138.8, 202 ], [ 61.2, 206.2, 134.7, 215.2 ], [ 61.2, 219.4, 138.8, 228.4 ], [ 61.2, 232.6, 143.3, 241.6 ], [ 61.2, 245.8, 143.3, 254.8 ], [ 61.2, 259, 147.8, 268 ], [ 208.1, 74.2, 223.9, 83.2 ], [ 226.1, 74.2, 236.6, 83.2 ], [ 208.1, 87.4, 232.9, 96.4 ], [ 235.1, 87.4, 250.1, 96.4 ], [ 208.1, 100.6, 228.9, 109.6 ], [ 231.2, 100.6, 241.7, 109.6 ], [ 208.1, 113.8, 223.9, 122.8 ], [ 226.1, 113.8, 236.6, 122.8 ], [ 208.1, 127, 237.9, 136 ], [ 240.2, 127, 255.2, 136 ], [ 208.1, 140.2, 228.9, 149.2 ], [ 231.2, 140.2, 241.7, 149.2 ], [ 208.1, 153.4, 223.9, 162.4 ], [ 226.1, 153.4, 236.6, 162.4 ], [ 208.1, 166.6, 223.9, 175.6 ], [ 226.1, 166.6, 236.6, 175.6 ], [ 208.1, 179.8, 237.9, 188.8 ], [ 240.2, 179.8, 255.2, 188.8 ], [ 208.1, 193, 232.9, 202 ], [ 235.1, 193, 250.1, 202 ], [ 208.1, 206.2, 228.9, 215.2 ], [ 231.2, 206.2, 241.7, 215.2 ], [ 208.1, 219.4, 223.9, 228.4 ], [ 226.1, 219.4, 236.6, 228.4 ], [ 208.1, 232.6, 232.9, 241.6 ], [ 235.1, 232.6, 250.1, 241.6 ], [ 208.1, 245.8, 228.9, 254.8 ], [ 231.2, 245.8, 241.7, 254.8 ], [ 208.1, 259, 223.9, 268 ], [ 226.1, 259, 236.6, 268 ], [ 306, 74.2, 393, 83.2 ], [ 306, 87.4, 393, 96.4 ], [ 306, 100.6, 393, 109.6 ], [ 306, 113.8, 393, 122.8 ], [ 306, 127, 393, 136 ], [ 306, 140.2, 385, 149.2 ], [ 306, 153.4, 389, 162.4 ], [ 306, 166.6, 389, 175.6 ], [ 306, 179.8, 389, 188.8 ], [ 306, 193, 389, 202 ], [ 306, 206.2, 389, 215.2 ], [ 306, 219.4, 389, 228.4 ], [ 306, 232.6, 389, 241.6 ], [ 306, 245.8, 389, 254.8 ], [ 453, 74.2, 478.3, 83.2 ], [ 480.5, 74.2, 491, 83.2 ], [ 453, 87.4, 473.8, 96.4 ], [ 476, 87.4, 486.5, 96.4 ], [ 453, 100.6, 482.8, 109.6 ], [ 485, 100.6, 500, 109.6 ], [ 453, 113.8, 478.3, 122.8 ], [ 480.5, 113.8, 495.5, 122.8 ], [ 453, 127, 473.2, 136 ], [ 475.5, 127, 490.5, 136 ], [ 453, 140.2, 469.3, 149.2 ], [ 471.5, 140.2, 482, 149.2 ], [ 453, 153.4, 477.7, 162.4 ], [ 480, 153.4, 495, 162.4 ], [ 453, 166.6, 473.8, 175.6 ], [ 476, 166.6, 486.5, 175.6 ], [ 453, 179.8, 468.7, 188.8 ], [ 471, 179.8, 481.5, 188.8 ], [ 453, 193, 477.7, 202 ], [ 480, 193, 495, 202 ], [ 453, 206.2, 473.8, 215.2 ], [ 476, 206.2, 486.5, 215.2 ], [ 453, 219.4, 478.3, 228.4 ], [ 480.5, 219.4, 491, 228.4 ], [ 453, 232.6, 468.7, 241.6 ], [ 471, 232.6, 481.5, 241.6 ], [ 453, 245.8, 473.8, 254.8 ], [ 476, 245.8, 486.5, 254.8 ], [ 60, 744.4, 88.7, 756.4 ] ]

[ 2, 2, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5 ]

[ 0, 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 16, 17, 17, 18, 18, 19, 19, 20, 20, 21, 21, 22, 22, 23, 23, 24, 24, 25, 25, 26, 26, 27, 27, 28, 28, 29, 29, 30, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 45, 46, 46, 47, 47, 48, 48, 49, 49, 50, 50, 51, 51, 52, 52, 53, 53, 54, 54, 55, 55, 56, 56, 57, 57, 58, 58, 59 ]

[ "Fig.", "1", "supplementary", "materials", "sup-9" ]

[ [ 60, 93, 75.4, 103 ], [ 78.2, 93, 83.8, 103 ], [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 6, 6, 0, 0, 0 ]

[ 0, 0, 1, 1, 1 ]

[ 0, 0, 1, 1, 2 ]

[ "supplementary", "materials", "1.1350", "0.9537", "(3)", "1.0565", "0.9722", "0.7344", "(3)", "0.7092", "(3)", "0.8250", "0.5092", "(4)", "0.5117", "0.3863", "0.5093", "(4)", "0.5323", "0.3760", "0.6889", "(4)", "0.8130", "0.5691", "(4)", "0.5990", "0.4323", "0.5730", "0.8159", "(4)", "0.8546", "0.6764", "0.8204", "0.6366", "(4)", "0.7988", "(4)", "0.6959", "(5)", "0.7737", "0.6947", "0.5545", "1.0254", "(5)", "1.0853", "1.0314", "1.1031", "0.6785", "(5)", "0.5353", "0.6828", "0.7415", "0.6031", "0.66238", "(17)", "0.7154", "0.6042", "0.70711", "(14)", "0.79588", "(15)", "0.8446", "0.85175", "(17)", "0.9245", "0.8185", "0.84178", "(16)", "0.9095", "0.8145", "0.76619", "(14)", "0.8077", "0.62057", "(15)", "0.5642", "0.6483", "0.5952", "0.57727", "(15)", "0.5178", "0.5989", "0.5589", "0.69668", "(16)", "0.58025", "(17)", "0.48089", "(17)", "0.4550", "0.4292", "0.4959", "0.5606", "(2)", "0.6236", "0.5066", "0.5392", "0.6221", "(2)", "0.6348", "0.5717", "0.6861", "0.7477", "0.69070", "(7)", "0.6823", "0.6679", "0.68449", "(7)", "0.72231", "(7)", "0.7162", "0.70618", "(7)", "0.7163", "0.7205", "0.64878", "(7)", "0.6334", "0.6372", "0.63516", "(6)", "0.6266", "0.69106", "(7)", "0.6685", "0.6840", "0.7248", "0.84878", "(8)", "0.8290", "0.8401", "0.8835", "0.59120", "(8)", "0.52642", "(8)", "0.54580", "(9)", "0.5739", "0.5198", "0.5559", "0.51203", "(10)", "0.4988", "0.4872", "0.5410", "0.48153", "(8)", "0.4908", "0.4550", "0.4705", "0.061*", "0.0499", "(6)", "0.060*", "0.060*", "0.0382", "(5)", "0.0436", "(5)", "0.052*", "0.0567", "(6)", "0.068*", "0.068*", "0.0599", "(7)", "0.072*", "0.072*", "0.0442", "(6)", "0.053*", "0.0539", "(6)", "0.081*", "0.081*", "0.081*", "0.0584", "(7)", "0.088*", "0.088*", "0.088*", "0.0487", "(6)", "0.0598", "(7)", "0.0912", "(9)", "0.137*", "0.137*", "0.137*", "0.1023", "(10)", "0.153*", "0.153*", "0.153*", "0.0816", "(8)", "0.122*", "0.122*", "0.122*", "H11B", "C12", "H12A", "H12B", "C13", "C14", "H14", "C15", "H15A", "H15B", "C16", "H16A", "H16B", "C17", "H17", "C18", "H18A", "H18B", "H18C", "C19", "H19A", "H19B", "H19C", "C20", "C21", "C22", "H22A", "H22B", "H22C", "C23", "H23A", "H23B", "H23C", "C24", "H24A", "H24B", "H24C", "N1", "O1", "C1", "C2", "C3", "C4", "C5", "sup-4", "Atomic", "displacement", "parameters", "(Å2)", "U11", "0.0549", "(14)", "0.0572", "(12)", "0.0520", "(16)", "0.0565", "(18)", "0.075", "(2)", "0.072", "(2)", "0.0539", "(17)", "U22", "0.0628", "(12)", "0.0831", "(11)", "0.0652", "(14)", "0.0790", "(15)", "0.0871", "(18)", "0.0781", "(17)", "0.0644", "(15)", "U33", "0.0443", "(11)", "0.0595", "(10)", "0.0430", "(13)", "0.0486", "(14)", "0.0425", "(14)", "0.0407", "(14)", "0.0382", "(13)", "U12", "−0.0034", "(11)", "−0.0006", "(11)", "0.0011", "(13)", "0.0058", "(14)", "0.0031", "(17)", "0.0077", "(16)", "0.0022", "(14)", "U13", "0.0022", "(10)", "−0.0099", "(9)", "−0.0016", "(12)", "−0.0050", "(12)", "−0.0089", "(14)", "0.0017", "(13)", "0.0015", "(12)", "U23", "−0.0105", "(10)", "−0.0130", "(9)", "−0.0034", "(11)", "0.0054", "(13)", "0.0036", "(13)", "−0.0055", "(12)", "−0.0031", "(11)" ]

[ [ 60, 37.4, 162.8, 53.4 ], [ 167.2, 37.4, 231.2, 53.4 ], [ 142.8, 74.2, 167.6, 83.2 ], [ 142.8, 87.4, 167.6, 96.4 ], [ 169.8, 87.4, 180.3, 96.4 ], [ 142.8, 100.6, 167.6, 109.6 ], [ 142.8, 113.8, 167.6, 122.8 ], [ 142.8, 127, 167.6, 136 ], [ 169.8, 127, 180.3, 136 ], [ 142.8, 140.2, 167.6, 149.2 ], [ 169.8, 140.2, 180.3, 149.2 ], [ 142.8, 153.4, 167.6, 162.4 ], [ 142.8, 166.6, 167.6, 175.6 ], [ 169.8, 166.6, 180.3, 175.6 ], [ 142.8, 179.8, 167.2, 188.8 ], [ 142.8, 193, 167.6, 202 ], [ 142.8, 206.2, 167.6, 215.2 ], [ 169.8, 206.2, 180.3, 215.2 ], [ 142.8, 219.4, 167.6, 228.4 ], [ 142.8, 232.6, 167.6, 241.6 ], [ 142.8, 245.8, 167.6, 254.8 ], [ 169.8, 245.8, 180.3, 254.8 ], [ 142.8, 259, 167.6, 268 ], [ 142.8, 272.2, 167.6, 281.2 ], [ 169.8, 272.2, 180.3, 281.2 ], [ 142.8, 285.4, 167.6, 294.4 ], [ 142.8, 298.6, 167.6, 307.6 ], [ 142.8, 311.8, 167.6, 320.8 ], [ 142.8, 325, 167.6, 334 ], [ 169.8, 325, 180.3, 334 ], [ 142.8, 338.2, 167.6, 347.2 ], [ 142.8, 351.4, 167.6, 360.4 ], [ 142.8, 364.6, 167.6, 373.6 ], [ 142.8, 377.8, 167.6, 386.8 ], [ 169.8, 377.8, 180.3, 386.8 ], [ 142.8, 391, 167.6, 400 ], [ 169.8, 391, 180.3, 400 ], [ 142.8, 404.2, 167.6, 413.2 ], [ 169.8, 404.2, 180.3, 413.2 ], [ 142.8, 417.4, 167.6, 426.4 ], [ 142.8, 430.6, 167.6, 439.6 ], [ 142.8, 443.8, 167.6, 452.8 ], [ 142.8, 457, 167.6, 466 ], [ 169.8, 457, 180.3, 466 ], [ 142.8, 470.2, 167.6, 479.2 ], [ 142.8, 483.4, 167.6, 492.4 ], [ 142.8, 496.6, 167.6, 505.6 ], [ 142.8, 509.8, 167.6, 518.8 ], [ 169.8, 509.8, 180.3, 518.8 ], [ 142.8, 523, 167.6, 532 ], [ 142.8, 536.2, 167.6, 545.2 ], [ 142.8, 549.4, 167.6, 558.4 ], [ 224.4, 74.2, 249.2, 83.2 ], [ 224.4, 87.4, 253.7, 96.4 ], [ 255.9, 87.4, 270.9, 96.4 ], [ 224.4, 100.6, 249.2, 109.6 ], [ 224.4, 113.8, 249.2, 122.8 ], [ 224.4, 127, 253.3, 136 ], [ 255.6, 127, 270.6, 136 ], [ 224.4, 140.2, 253.7, 149.2 ], [ 255.9, 140.2, 270.9, 149.2 ], [ 224.4, 153.4, 249.2, 162.4 ], [ 224.4, 166.6, 253.7, 175.6 ], [ 255.9, 166.6, 270.9, 175.6 ], [ 224.4, 179.8, 249.2, 188.8 ], [ 224.4, 193, 249.2, 202 ], [ 224.4, 206.2, 253.7, 215.2 ], [ 255.9, 206.2, 270.9, 215.2 ], [ 224.4, 219.4, 249.2, 228.4 ], [ 224.4, 232.6, 249.2, 241.6 ], [ 224.4, 245.8, 253.7, 254.8 ], [ 255.9, 245.8, 270.9, 254.8 ], [ 224.4, 259, 249.2, 268 ], [ 224.4, 272.2, 253.7, 281.2 ], [ 255.9, 272.2, 270.9, 281.2 ], [ 224.4, 285.4, 249.2, 294.4 ], [ 224.4, 298.6, 249.2, 307.6 ], [ 224.4, 311.8, 249.2, 320.8 ], [ 224.4, 325, 253.7, 334 ], [ 255.9, 325, 270.9, 334 ], [ 224.4, 338.2, 249.2, 347.2 ], [ 224.4, 351.4, 249.2, 360.4 ], [ 224.4, 364.6, 249.2, 373.6 ], [ 224.4, 377.8, 253.7, 386.8 ], [ 255.9, 377.8, 270.9, 386.8 ], [ 224.4, 391, 253.7, 400 ], [ 255.9, 391, 270.9, 400 ], [ 224.4, 404.2, 253.7, 413.2 ], [ 255.9, 404.2, 270.9, 413.2 ], [ 224.4, 417.4, 249.2, 426.4 ], [ 224.4, 430.6, 249.2, 439.6 ], [ 224.4, 443.8, 249.2, 452.8 ], [ 224.4, 457, 249.2, 466 ], [ 251.4, 457, 261.9, 466 ], [ 224.4, 470.2, 249.2, 479.2 ], [ 224.4, 483.4, 249.2, 492.4 ], [ 224.4, 496.6, 249.2, 505.6 ], [ 224.4, 509.8, 249.2, 518.8 ], [ 251.4, 509.8, 261.9, 518.8 ], [ 224.4, 523, 249.2, 532 ], [ 224.4, 536.2, 249.2, 545.2 ], [ 224.4, 549.4, 249.2, 558.4 ], [ 306, 74.2, 330.8, 83.2 ], [ 306, 87.4, 335.3, 96.4 ], [ 337.5, 87.4, 348, 96.4 ], [ 306, 100.6, 330.8, 109.6 ], [ 306, 113.8, 330.8, 122.8 ], [ 306, 127, 335.3, 136 ], [ 337.5, 127, 348, 136 ], [ 306, 140.2, 335.3, 149.2 ], [ 337.5, 140.2, 348, 149.2 ], [ 306, 153.4, 330.8, 162.4 ], [ 306, 166.6, 335.3, 175.6 ], [ 337.5, 166.6, 348, 175.6 ], [ 306, 179.8, 330.8, 188.8 ], [ 306, 193, 330.8, 202 ], [ 306, 206.2, 335.3, 215.2 ], [ 337.5, 206.2, 348, 215.2 ], [ 306, 219.4, 330.8, 228.4 ], [ 306, 232.6, 330.8, 241.6 ], [ 306, 245.8, 335.3, 254.8 ], [ 337.5, 245.8, 348, 254.8 ], [ 306, 259, 330.8, 268 ], [ 306, 272.2, 335.3, 281.2 ], [ 337.5, 272.2, 348, 281.2 ], [ 306, 285.4, 330.8, 294.4 ], [ 306, 298.6, 330.8, 307.6 ], [ 306, 311.8, 330.8, 320.8 ], [ 306, 325, 335.3, 334 ], [ 337.5, 325, 348, 334 ], [ 306, 338.2, 330.8, 347.2 ], [ 306, 351.4, 330.8, 360.4 ], [ 306, 364.6, 330.8, 373.6 ], [ 306, 377.8, 335.3, 386.8 ], [ 337.5, 377.8, 348, 386.8 ], [ 306, 391, 335.3, 400 ], [ 337.5, 391, 348, 400 ], [ 306, 404.2, 335.3, 413.2 ], [ 337.5, 404.2, 348, 413.2 ], [ 306, 417.4, 330.8, 426.4 ], [ 306, 430.6, 330.8, 439.6 ], [ 306, 443.8, 330.8, 452.8 ], [ 306, 457, 335.3, 466 ], [ 337.5, 457, 352.5, 466 ], [ 306, 470.2, 330.8, 479.2 ], [ 306, 483.4, 330.8, 492.4 ], [ 306, 496.6, 330.8, 505.6 ], [ 306, 509.8, 335.3, 518.8 ], [ 337.5, 509.8, 348, 518.8 ], [ 306, 523, 330.8, 532 ], [ 306, 536.2, 330.8, 545.2 ], [ 306, 549.4, 330.8, 558.4 ], [ 387.7, 74.2, 412.4, 83.2 ], [ 387.7, 87.4, 412.4, 96.4 ], [ 414.7, 87.4, 425.2, 96.4 ], [ 387.7, 100.6, 412.4, 109.6 ], [ 387.7, 113.8, 412.4, 122.8 ], [ 387.7, 127, 412.4, 136 ], [ 414.7, 127, 425.2, 136 ], [ 387.7, 140.2, 412.4, 149.2 ], [ 414.7, 140.2, 425.2, 149.2 ], [ 387.7, 153.4, 412.4, 162.4 ], [ 387.7, 166.6, 412.4, 175.6 ], [ 414.7, 166.6, 425.2, 175.6 ], [ 387.7, 179.8, 412.4, 188.8 ], [ 387.7, 193, 412.4, 202 ], [ 387.7, 206.2, 412.4, 215.2 ], [ 414.7, 206.2, 425.2, 215.2 ], [ 387.7, 219.4, 412.4, 228.4 ], [ 387.7, 232.6, 412.4, 241.6 ], [ 387.7, 245.8, 412.4, 254.8 ], [ 414.7, 245.8, 425.2, 254.8 ], [ 387.7, 259, 412.4, 268 ], [ 387.7, 272.2, 412.4, 281.2 ], [ 414.7, 272.2, 425.2, 281.2 ], [ 387.7, 285.4, 412.4, 294.4 ], [ 387.7, 298.6, 412.4, 307.6 ], [ 387.7, 311.8, 412.4, 320.8 ], [ 387.7, 325, 412.4, 334 ], [ 414.7, 325, 425.2, 334 ], [ 387.7, 338.2, 412.4, 347.2 ], [ 387.7, 351.4, 412.4, 360.4 ], [ 387.7, 364.6, 412.4, 373.6 ], [ 387.7, 377.8, 412.4, 386.8 ], [ 414.7, 377.8, 425.2, 386.8 ], [ 387.7, 391, 412.4, 400 ], [ 414.7, 391, 425.2, 400 ], [ 387.7, 404.2, 412.4, 413.2 ], [ 414.7, 404.2, 425.2, 413.2 ], [ 387.7, 417.4, 412.4, 426.4 ], [ 387.7, 430.6, 412.4, 439.6 ], [ 387.7, 443.8, 412.4, 452.8 ], [ 387.7, 457, 412.4, 466 ], [ 414.7, 457, 429.7, 466 ], [ 387.7, 470.2, 412.4, 479.2 ], [ 387.7, 483.4, 412.4, 492.4 ], [ 387.7, 496.6, 412.4, 505.6 ], [ 387.7, 509.8, 412.4, 518.8 ], [ 414.7, 509.8, 425.2, 518.8 ], [ 387.7, 523, 412.4, 532 ], [ 387.7, 536.2, 412.4, 545.2 ], [ 387.7, 549.4, 412.4, 558.4 ], [ 61.2, 74.2, 82.4, 83.2 ], [ 61.2, 87.4, 76.2, 96.4 ], [ 61.2, 100.6, 83.2, 109.6 ], [ 61.2, 113.8, 82.7, 122.8 ], [ 61.2, 127, 76.2, 136 ], [ 61.2, 140.2, 76.2, 149.2 ], [ 61.2, 153.4, 76.7, 162.4 ], [ 61.2, 166.6, 76.2, 175.6 ], [ 61.2, 179.8, 83.2, 188.8 ], [ 61.2, 193, 82.7, 202 ], [ 61.2, 206.2, 76.2, 215.2 ], [ 61.2, 219.4, 83.2, 228.4 ], [ 61.2, 232.6, 82.7, 241.6 ], [ 61.2, 245.8, 76.2, 254.8 ], [ 61.2, 259, 76.7, 268 ], [ 61.2, 272.2, 76.2, 281.2 ], [ 61.2, 285.4, 83.2, 294.4 ], [ 61.2, 298.6, 82.7, 307.6 ], [ 61.2, 311.8, 82.7, 320.8 ], [ 61.2, 325, 76.2, 334 ], [ 61.2, 338.2, 83.2, 347.2 ], [ 61.2, 351.4, 82.7, 360.4 ], [ 61.2, 364.6, 82.7, 373.6 ], [ 61.2, 377.8, 76.2, 386.8 ], [ 61.2, 391, 76.2, 400 ], [ 61.2, 404.2, 76.2, 413.2 ], [ 61.2, 417.4, 83.2, 426.4 ], [ 61.2, 430.6, 82.7, 439.6 ], [ 61.2, 443.8, 82.7, 452.8 ], [ 61.2, 457, 76.2, 466 ], [ 61.2, 470.2, 83.2, 479.2 ], [ 61.2, 483.4, 82.7, 492.4 ], [ 61.2, 496.6, 82.7, 505.6 ], [ 61.2, 509.8, 76.2, 518.8 ], [ 61.2, 523, 83.2, 532 ], [ 61.2, 536.2, 82.7, 545.2 ], [ 61.2, 549.4, 82.7, 558.4 ], [ 61.2, 618.5, 72.2, 627.5 ], [ 61.2, 631.7, 72.2, 640.7 ], [ 61.2, 644.9, 71.7, 653.9 ], [ 61.2, 658.1, 71.7, 667.1 ], [ 61.2, 671.3, 71.7, 680.3 ], [ 61.2, 684.5, 71.7, 693.5 ], [ 61.2, 697.7, 71.7, 706.7 ], [ 60, 744.4, 88.7, 756.4 ], [ 60, 584.5, 88.3, 594.5 ], [ 90.8, 584.5, 143.5, 594.5 ], [ 146, 584.5, 191.5, 594.5 ], [ 194, 581.5, 210.9, 594.5 ], [ 131.2, 602.8, 144.3, 614.3 ], [ 131.2, 618.5, 155.9, 627.5 ], [ 158.2, 618.5, 173.2, 627.5 ], [ 131.2, 631.7, 155.9, 640.7 ], [ 158.2, 631.7, 173.2, 640.7 ], [ 131.2, 644.9, 155.9, 653.9 ], [ 158.2, 644.9, 173.2, 653.9 ], [ 131.2, 658.1, 155.9, 667.1 ], [ 158.2, 658.1, 173.2, 667.1 ], [ 131.2, 671.3, 151.4, 680.3 ], [ 153.7, 671.3, 164.2, 680.3 ], [ 131.2, 684.5, 151.4, 693.5 ], [ 153.7, 684.5, 164.2, 693.5 ], [ 131.2, 697.7, 155.9, 706.7 ], [ 158.2, 697.7, 173.2, 706.7 ], [ 201.1, 602.8, 214.6, 614.3 ], [ 201.1, 618.5, 225.9, 627.5 ], [ 228.1, 618.5, 243.1, 627.5 ], [ 201.1, 631.7, 225.9, 640.7 ], [ 228.1, 631.7, 242.8, 640.7 ], [ 201.1, 644.9, 225.9, 653.9 ], [ 228.1, 644.9, 243.1, 653.9 ], [ 201.1, 658.1, 225.9, 667.1 ], [ 228.1, 658.1, 243.1, 667.1 ], [ 201.1, 671.3, 225.9, 680.3 ], [ 228.1, 671.3, 243.1, 680.3 ], [ 201.1, 684.5, 225.9, 693.5 ], [ 228.1, 684.5, 243.1, 693.5 ], [ 201.1, 697.7, 225.9, 706.7 ], [ 228.1, 697.7, 243.1, 706.7 ], [ 271.1, 602.8, 284.5, 614.3 ], [ 271.1, 618.5, 295.8, 627.5 ], [ 298.1, 618.5, 312.7, 627.5 ], [ 271.1, 631.7, 295.8, 640.7 ], [ 298.1, 631.7, 313.1, 640.7 ], [ 271.1, 644.9, 295.8, 653.9 ], [ 298.1, 644.9, 313.1, 653.9 ], [ 271.1, 658.1, 295.8, 667.1 ], [ 298.1, 658.1, 313.1, 667.1 ], [ 271.1, 671.3, 295.8, 680.3 ], [ 298.1, 671.3, 313.1, 680.3 ], [ 271.1, 684.5, 295.8, 693.5 ], [ 298.1, 684.5, 313.1, 693.5 ], [ 271.1, 697.7, 295.8, 706.7 ], [ 298.1, 697.7, 313.1, 706.7 ], [ 341, 602.8, 354.5, 614.3 ], [ 341, 618.5, 370.8, 627.5 ], [ 373.1, 618.5, 387.8, 627.5 ], [ 341, 631.7, 370.8, 640.7 ], [ 373.1, 631.7, 387.8, 640.7 ], [ 341, 644.9, 365.4, 653.9 ], [ 367.7, 644.9, 382.7, 653.9 ], [ 341, 658.1, 365.8, 667.1 ], [ 368, 658.1, 383, 667.1 ], [ 341, 671.3, 365.8, 680.3 ], [ 368, 671.3, 383, 680.3 ], [ 341, 684.5, 365.8, 693.5 ], [ 368, 684.5, 383, 693.5 ], [ 341, 697.7, 365.8, 706.7 ], [ 368, 697.7, 383, 706.7 ], [ 411, 602.8, 424.4, 614.3 ], [ 411, 618.5, 435.7, 627.5 ], [ 438, 618.5, 453, 627.5 ], [ 411, 631.7, 440.8, 640.7 ], [ 443.1, 631.7, 453.5, 640.7 ], [ 411, 644.9, 440.8, 653.9 ], [ 443.1, 644.9, 458, 653.9 ], [ 411, 658.1, 440.8, 667.1 ], [ 443.1, 658.1, 458, 667.1 ], [ 411, 671.3, 440.8, 680.3 ], [ 443.1, 671.3, 458, 680.3 ], [ 411, 684.5, 435.7, 693.5 ], [ 438, 684.5, 453, 693.5 ], [ 411, 697.7, 435.7, 706.7 ], [ 438, 697.7, 453, 706.7 ], [ 480.9, 602.8, 494.4, 614.3 ], [ 480.9, 618.5, 510.8, 627.5 ], [ 513, 618.5, 528, 627.5 ], [ 480.9, 631.7, 510.8, 640.7 ], [ 513, 631.7, 523.5, 640.7 ], [ 480.9, 644.9, 510.8, 653.9 ], [ 513, 644.9, 527.7, 653.9 ], [ 480.9, 658.1, 505.7, 667.1 ], [ 507.9, 658.1, 522.9, 667.1 ], [ 480.9, 671.3, 505.7, 680.3 ], [ 507.9, 671.3, 522.9, 680.3 ], [ 480.9, 684.5, 510.8, 693.5 ], [ 513, 684.5, 528, 693.5 ], [ 480.9, 697.7, 510.8, 706.7 ], [ 513, 697.7, 527.7, 706.7 ] ]

[ 2, 2, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11, 0, 0, 0, 0, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 7, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14 ]

[ 0, 0, 1, 2, 2, 3, 4, 5, 5, 6, 6, 7, 8, 8, 9, 10, 11, 11, 12, 13, 14, 14, 15, 16, 16, 17, 18, 19, 20, 20, 21, 22, 23, 24, 24, 25, 25, 26, 26, 27, 28, 29, 30, 30, 31, 32, 33, 34, 34, 35, 36, 37, 38, 39, 39, 40, 41, 42, 42, 43, 43, 44, 45, 45, 46, 47, 48, 48, 49, 50, 51, 51, 52, 53, 53, 54, 55, 56, 57, 57, 58, 59, 60, 61, 61, 62, 62, 63, 63, 64, 65, 66, 67, 67, 68, 69, 70, 71, 71, 72, 73, 74, 75, 76, 76, 77, 78, 79, 79, 80, 80, 81, 82, 82, 83, 84, 85, 85, 86, 87, 88, 88, 89, 90, 90, 91, 92, 93, 94, 94, 95, 96, 97, 98, 98, 99, 99, 100, 100, 101, 102, 103, 104, 104, 105, 106, 107, 108, 108, 109, 110, 111, 112, 113, 113, 114, 115, 116, 116, 117, 117, 118, 119, 119, 120, 121, 122, 122, 123, 124, 125, 125, 126, 127, 127, 128, 129, 130, 131, 131, 132, 133, 134, 135, 135, 136, 136, 137, 137, 138, 139, 140, 141, 141, 142, 143, 144, 145, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 194, 194, 194, 195, 196, 196, 197, 197, 198, 198, 199, 199, 200, 200, 201, 201, 202, 202, 203, 204, 204, 205, 205, 206, 206, 207, 207, 208, 208, 209, 209, 210, 210, 211, 212, 212, 213, 213, 214, 214, 215, 215, 216, 216, 217, 217, 218, 218, 219, 220, 220, 221, 221, 222, 222, 223, 223, 224, 224, 225, 225, 226, 226, 227, 228, 228, 229, 229, 230, 230, 231, 231, 232, 232, 233, 233, 234, 234, 235, 236, 236, 237, 237, 238, 238, 239, 239, 240, 240, 241, 241, 242, 242 ]

[ "C6—C7—H7A", "C8—C7—H7B", "C6—C7—H7B", "H7A—C7—H7B", "C14—C8—C7", "C14—C8—C9", "C7—C8—C9", "C14—C8—H8", "C7—C8—H8", "C9—C8—H8", "C11—C9—C8", "C11—C9—C10", "C8—C9—C10", "C11—C9—H9", "C8—C9—H9", "C10—C9—H9", "C19—C10—C1", "C19—C10—C5", "C1—C10—C5", "C19—C10—C9", "C1—C10—C9", "C5—C10—C9", "C9—C11—C12", "C9—C11—H11A", "C12—C11—H11A", "C9—C11—H11B", "C12—C11—H11B", "H11A—C11—H11B", "C13—C12—C11", "C13—C12—H12A", "C11—C12—H12A", "C10—C1—C2—C3", "C1—C2—C3—C4", "C2—C3—C4—C5", "C3—C4—C5—C6", "C3—C4—C5—C10", "C4—C5—C6—C7", "C10—C5—C6—C7", "C5—C6—C7—C8", "C6—C7—C8—C14", "C6—C7—C8—C9", "C14—C8—C9—C11", "C7—C8—C9—C11", "C14—C8—C9—C10", "C7—C8—C9—C10", "C2—C1—C10—C19", "C2—C1—C10—C5", "C2—C1—C10—C9", "C6—C5—C10—C19", "109.2", "109.2", "109.2", "107.9", "112.48", "(16)", "110.13", "(16)", "110.47", "(17)", "107.9", "107.9", "107.9", "112.02", "(16)", "113.93", "(16)", "112.15", "(15)", "106.0", "106.0", "106.0", "108.81", "(17)", "112.08", "(16)", "106.56", "(16)", "110.26", "(16)", "111.04", "(15)", "108.05", "(15)", "114.43", "(17)", "108.7", "108.7", "108.7", "108.7", "107.6", "111.04", "(16)", "109.4", "109.4", "−54.5", "(3)", "50.1", "(3)", "−50.5", "(3)", "−173.8", "(2)", "55.3", "(3)", "175.0", "(2)", "−54.3", "(2)", "53.1", "(3)", "−177.64", "(18)", "−54.1", "(2)", "−48.6", "(2)", "−173.49", "(17)", "−178.19", "(16)", "56.9", "(2)", "−65.7", "(2)", "55.4", "(2)", "172.80", "(17)", "−67.1", "(2)", "H19A—C19—H19B", "C10—C19—H19C", "H19A—C19—H19C", "H19B—C19—H19C", "O1—C20—N1", "O1—C20—C17", "N1—C20—C17", "N1—C21—C23", "N1—C21—C24", "C23—C21—C24", "N1—C21—C22", "C23—C21—C22", "C24—C21—C22", "C21—C22—H22A", "C21—C22—H22B", "H22A—C22—H22B", "C21—C22—H22C", "H22A—C22—H22C", "H22B—C22—H22C", "C21—C23—H23A", "C21—C23—H23B", "H23A—C23—H23B", "C21—C23—H23C", "H23A—C23—H23C", "H23B—C23—H23C", "C21—C24—H24A", "C21—C24—H24B", "H24A—C24—H24B", "C21—C24—H24C", "H24A—C24—H24C", "H24B—C24—H24C", "C11—C12—C13—C18", "C11—C12—C13—C17", "C7—C8—C14—C15", "C9—C8—C14—C15", "C7—C8—C14—C13", "C9—C8—C14—C13", "C12—C13—C14—C8", "C18—C13—C14—C8", "C17—C13—C14—C8", "C12—C13—C14—C15", "C18—C13—C14—C15", "C17—C13—C14—C15", "C8—C14—C15—C16", "C13—C14—C15—C16", "C14—C15—C16—C17", "C15—C16—C17—C20", "C15—C16—C17—C13", "C12—C13—C17—C20", "supplementary", "materials", "109.5", "109.5", "109.5", "109.5", "122.7", "(2)", "122.2", "(2)", "115.0", "(2)", "106.2", "(2)", "110.37", "(18)", "109.7", "(2)", "109.20", "(18)", "111.0", "(2)", "110.2", "(2)", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "−66.3", "(2)", "169.09", "(17)", "−55.7", "(3)", "−179.44", "(17)", "−179.00", "(18)", "57.3", "(2)", "−61.5", "(2)", "60.3", "(2)", "175.87", "(17)", "167.69", "(17)", "−70.46", "(19)", "45.1", "(2)", "−161.48", "(18)", "−33.8", "(2)", "8.8", "(2)", "143.81", "(18)", "18.8", "(2)", "81.4", "(2)", "sup-7" ]

[ [ 61.2, 74.2, 117.7, 83.2 ], [ 61.2, 87.4, 117.2, 96.4 ], [ 61.2, 100.6, 117.2, 109.6 ], [ 61.2, 113.8, 124.2, 122.8 ], [ 61.2, 127, 115.2, 136 ], [ 61.2, 140.2, 115.2, 149.2 ], [ 61.2, 153.4, 110.7, 162.4 ], [ 61.2, 166.6, 115.7, 175.6 ], [ 61.2, 179.8, 111.2, 188.8 ], [ 61.2, 193, 111.2, 202 ], [ 61.2, 206.2, 114.8, 215.2 ], [ 61.2, 219.4, 119.3, 228.4 ], [ 61.2, 232.6, 115.2, 241.6 ], [ 61.2, 245.8, 115.4, 254.8 ], [ 61.2, 259, 111.2, 268 ], [ 61.2, 272.2, 115.7, 281.2 ], [ 61.2, 285.4, 119.7, 294.4 ], [ 61.2, 298.6, 119.7, 307.6 ], [ 61.2, 311.8, 115.2, 320.8 ], [ 61.2, 325, 119.7, 334 ], [ 61.2, 338.2, 115.2, 347.2 ], [ 61.2, 351.4, 115.2, 360.4 ], [ 61.2, 364.6, 119.3, 373.6 ], [ 61.2, 377.8, 126, 386.8 ], [ 61.2, 391, 130.5, 400 ], [ 61.2, 404.2, 125.5, 413.2 ], [ 61.2, 417.4, 130, 426.4 ], [ 61.2, 430.6, 136.7, 439.6 ], [ 61.2, 443.8, 123.8, 452.8 ], [ 61.2, 457, 131.2, 466 ], [ 61.2, 470.2, 130.9, 479.2 ], [ 61.2, 485.8, 134.7, 494.8 ], [ 61.2, 499, 130.2, 508 ], [ 61.2, 512.2, 130.2, 521.2 ], [ 61.2, 525.4, 130.2, 534.4 ], [ 61.2, 538.6, 134.7, 547.6 ], [ 61.2, 551.8, 130.2, 560.8 ], [ 61.2, 565, 134.7, 574 ], [ 61.2, 578.2, 130.2, 587.2 ], [ 61.2, 591.4, 134.7, 600.4 ], [ 61.2, 604.6, 130.2, 613.6 ], [ 61.2, 617.8, 138.8, 626.8 ], [ 61.2, 631, 134.3, 640 ], [ 61.2, 644.2, 139.2, 653.2 ], [ 61.2, 657.4, 134.7, 666.4 ], [ 61.2, 670.6, 139.2, 679.6 ], [ 61.2, 683.8, 134.7, 692.8 ], [ 61.2, 697, 134.7, 706 ], [ 61.2, 710.2, 139.2, 719.2 ], [ 208.1, 74.2, 228.4, 83.2 ], [ 208.1, 87.4, 228.4, 96.4 ], [ 208.1, 100.6, 228.4, 109.6 ], [ 208.1, 113.8, 228.4, 122.8 ], [ 208.1, 127, 232.5, 136 ], [ 234.8, 127, 249.8, 136 ], [ 208.1, 140.2, 232.5, 149.2 ], [ 234.8, 140.2, 249.8, 149.2 ], [ 208.1, 153.4, 232.5, 162.4 ], [ 234.8, 153.4, 249.8, 162.4 ], [ 208.1, 166.6, 228.4, 175.6 ], [ 208.1, 179.8, 228.4, 188.8 ], [ 208.1, 193, 228.4, 202 ], [ 208.1, 206.2, 232.5, 215.2 ], [ 234.8, 206.2, 249.8, 215.2 ], [ 208.1, 219.4, 232.5, 228.4 ], [ 234.8, 219.4, 249.8, 228.4 ], [ 208.1, 232.6, 232.5, 241.6 ], [ 234.8, 232.6, 249.8, 241.6 ], [ 208.1, 245.8, 228.4, 254.8 ], [ 208.1, 259, 228.4, 268 ], [ 208.1, 272.2, 228.4, 281.2 ], [ 208.1, 285.4, 232.9, 294.4 ], [ 235.1, 285.4, 250.1, 294.4 ], [ 208.1, 298.6, 232.5, 307.6 ], [ 234.8, 298.6, 249.8, 307.6 ], [ 208.1, 311.8, 232.9, 320.8 ], [ 235.1, 311.8, 250.1, 320.8 ], [ 208.1, 325, 232.5, 334 ], [ 234.8, 325, 249.8, 334 ], [ 208.1, 338.2, 232.2, 347.2 ], [ 234.4, 338.2, 249.4, 347.2 ], [ 208.1, 351.4, 232.9, 360.4 ], [ 235.1, 351.4, 250.1, 360.4 ], [ 208.1, 364.6, 232.5, 373.6 ], [ 234.8, 364.6, 249.8, 373.6 ], [ 208.1, 377.8, 228.4, 386.8 ], [ 208.1, 391, 228.4, 400 ], [ 208.1, 404.2, 228.4, 413.2 ], [ 208.1, 417.4, 228.4, 426.4 ], [ 208.1, 430.6, 228.4, 439.6 ], [ 208.1, 443.8, 232.2, 452.8 ], [ 234.4, 443.8, 249.4, 452.8 ], [ 208.1, 457, 228.4, 466 ], [ 208.1, 470.2, 228.4, 479.2 ], [ 208.1, 485.8, 228.9, 494.8 ], [ 231.2, 485.8, 241.7, 494.8 ], [ 208.1, 499, 223.9, 508 ], [ 226.1, 499, 236.6, 508 ], [ 208.1, 512.2, 228.9, 521.2 ], [ 231.2, 512.2, 241.7, 521.2 ], [ 208.1, 525.4, 233.4, 534.4 ], [ 235.7, 525.4, 246.2, 534.4 ], [ 208.1, 538.6, 223.9, 547.6 ], [ 226.1, 538.6, 236.6, 547.6 ], [ 208.1, 551.8, 228.4, 560.8 ], [ 230.6, 551.8, 241.1, 560.8 ], [ 208.1, 565, 228.9, 574 ], [ 231.2, 565, 241.7, 574 ], [ 208.1, 578.2, 223.9, 587.2 ], [ 226.1, 578.2, 236.6, 587.2 ], [ 208.1, 591.4, 237.9, 600.4 ], [ 240.2, 591.4, 255.2, 600.4 ], [ 208.1, 604.6, 228.9, 613.6 ], [ 231.2, 604.6, 241.7, 613.6 ], [ 208.1, 617.8, 228.9, 626.8 ], [ 231.2, 617.8, 241.7, 626.8 ], [ 208.1, 631, 237.9, 640 ], [ 240.2, 631, 255.2, 640 ], [ 208.1, 644.2, 237.9, 653.2 ], [ 240.2, 644.2, 255.2, 653.2 ], [ 208.1, 657.4, 223.9, 666.4 ], [ 226.1, 657.4, 236.6, 666.4 ], [ 208.1, 670.6, 228.9, 679.6 ], [ 231.2, 670.6, 241.7, 679.6 ], [ 208.1, 683.8, 223.9, 692.8 ], [ 226.1, 683.8, 236.6, 692.8 ], [ 208.1, 697, 232.9, 706 ], [ 235.1, 697, 250.1, 706 ], [ 208.1, 710.2, 228.9, 719.2 ], [ 231.2, 710.2, 241.7, 719.2 ], [ 306, 74.2, 382.5, 83.2 ], [ 306, 87.4, 375.5, 96.4 ], [ 306, 100.6, 382.5, 109.6 ], [ 306, 113.8, 382, 122.8 ], [ 306, 127, 361, 136 ], [ 306, 140.2, 365, 149.2 ], [ 306, 153.4, 365, 162.4 ], [ 306, 166.6, 365, 175.6 ], [ 306, 179.8, 365, 188.8 ], [ 306, 193, 369, 202 ], [ 306, 206.2, 365, 215.2 ], [ 306, 219.4, 369, 228.4 ], [ 306, 232.6, 369, 241.6 ], [ 306, 245.8, 376, 254.8 ], [ 306, 259, 375.5, 268 ], [ 306, 272.2, 382.5, 281.2 ], [ 306, 285.4, 375.5, 294.4 ], [ 306, 298.6, 382.5, 307.6 ], [ 306, 311.8, 382, 320.8 ], [ 306, 325, 376, 334 ], [ 306, 338.2, 375.5, 347.2 ], [ 306, 351.4, 382.5, 360.4 ], [ 306, 364.6, 375.5, 373.6 ], [ 306, 377.8, 382.5, 386.8 ], [ 306, 391, 382, 400 ], [ 306, 404.2, 376, 413.2 ], [ 306, 417.4, 375.5, 426.4 ], [ 306, 430.6, 382.5, 439.6 ], [ 306, 443.8, 375.5, 452.8 ], [ 306, 457, 382.5, 466 ], [ 306, 470.2, 382, 479.2 ], [ 306, 485.8, 392.7, 494.8 ], [ 306, 499, 392.7, 508 ], [ 306, 512.2, 384, 521.2 ], [ 306, 525.4, 384, 534.4 ], [ 306, 538.6, 384, 547.6 ], [ 306, 551.8, 384, 560.8 ], [ 306, 565, 388.5, 574 ], [ 306, 578.2, 388.5, 587.2 ], [ 306, 591.4, 388.5, 600.4 ], [ 306, 604.6, 393, 613.6 ], [ 306, 617.8, 393, 626.8 ], [ 306, 631, 393, 640 ], [ 306, 644.2, 388.5, 653.2 ], [ 306, 657.4, 393, 666.4 ], [ 306, 670.6, 393, 679.6 ], [ 306, 683.8, 393, 692.8 ], [ 306, 697, 393, 706 ], [ 306, 710.2, 393, 719.2 ], [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 453, 74.2, 473.2, 83.2 ], [ 453, 87.4, 473.2, 96.4 ], [ 453, 100.6, 473.2, 109.6 ], [ 453, 113.8, 473.2, 122.8 ], [ 453, 127, 473.2, 136 ], [ 475.5, 127, 486, 136 ], [ 453, 140.2, 473.2, 149.2 ], [ 475.5, 140.2, 486, 149.2 ], [ 453, 153.4, 472.9, 162.4 ], [ 475.1, 153.4, 485.6, 162.4 ], [ 453, 166.6, 473.2, 175.6 ], [ 475.5, 166.6, 486, 175.6 ], [ 453, 179.8, 477.4, 188.8 ], [ 479.6, 179.8, 494.6, 188.8 ], [ 453, 193, 473.2, 202 ], [ 475.5, 193, 486, 202 ], [ 453, 206.2, 477.7, 215.2 ], [ 480, 206.2, 495, 215.2 ], [ 453, 219.4, 472.5, 228.4 ], [ 474.8, 219.4, 485.3, 228.4 ], [ 453, 232.6, 472.9, 241.6 ], [ 475.1, 232.6, 485.6, 241.6 ], [ 453, 245.8, 473.2, 254.8 ], [ 453, 259, 473.2, 268 ], [ 453, 272.2, 473.2, 281.2 ], [ 453, 285.4, 473.2, 294.4 ], [ 453, 298.6, 473.2, 307.6 ], [ 453, 311.8, 473.2, 320.8 ], [ 453, 325, 473.2, 334 ], [ 453, 338.2, 473.2, 347.2 ], [ 453, 351.4, 473.2, 360.4 ], [ 453, 364.6, 473.2, 373.6 ], [ 453, 377.8, 473.2, 386.8 ], [ 453, 391, 473.2, 400 ], [ 453, 404.2, 473.2, 413.2 ], [ 453, 417.4, 473.2, 426.4 ], [ 453, 430.6, 473.2, 439.6 ], [ 453, 443.8, 473.2, 452.8 ], [ 453, 457, 473.2, 466 ], [ 453, 470.2, 473.2, 479.2 ], [ 453, 485.8, 473.8, 494.8 ], [ 476, 485.8, 486.5, 494.8 ], [ 453, 499, 477.7, 508 ], [ 480, 499, 495, 508 ], [ 453, 512.2, 473.8, 521.2 ], [ 476, 512.2, 486.5, 521.2 ], [ 453, 525.4, 482.8, 534.4 ], [ 485, 525.4, 500, 534.4 ], [ 453, 538.6, 482.8, 547.6 ], [ 485, 538.6, 500, 547.6 ], [ 453, 551.8, 468.7, 560.8 ], [ 471, 551.8, 481.5, 560.8 ], [ 453, 565, 473.8, 574 ], [ 476, 565, 486.5, 574 ], [ 453, 578.2, 468.7, 587.2 ], [ 471, 578.2, 481.5, 587.2 ], [ 453, 591.4, 477.7, 600.4 ], [ 480, 591.4, 495, 600.4 ], [ 453, 604.6, 477.7, 613.6 ], [ 480, 604.6, 495, 613.6 ], [ 453, 617.8, 478.3, 626.8 ], [ 480.5, 617.8, 495.5, 626.8 ], [ 453, 631, 468.7, 640 ], [ 471, 631, 481.5, 640 ], [ 453, 644.2, 482.8, 653.2 ], [ 485, 644.2, 500, 653.2 ], [ 453, 657.4, 473.8, 666.4 ], [ 476, 657.4, 486.5, 666.4 ], [ 453, 670.6, 464.2, 679.6 ], [ 466.5, 670.6, 477, 679.6 ], [ 453, 683.8, 477.7, 692.8 ], [ 480, 683.8, 495, 692.8 ], [ 453, 697, 468.7, 706 ], [ 471, 697, 481.5, 706 ], [ 453, 710.2, 468.7, 719.2 ], [ 471, 710.2, 481.5, 719.2 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 2, 2, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11 ]

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5 ]

[ 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 53, 54, 54, 55, 55, 56, 57, 58, 59, 59, 60, 60, 61, 61, 62, 63, 64, 65, 65, 66, 66, 67, 67, 68, 68, 69, 69, 70, 70, 71, 71, 72, 73, 74, 75, 76, 77, 77, 78, 79, 80, 80, 81, 81, 82, 82, 83, 83, 84, 84, 85, 85, 86, 86, 87, 87, 88, 88, 89, 89, 90, 90, 91, 91, 92, 92, 93, 93, 94, 94, 95, 95, 96, 96, 97, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 147, 148, 149, 150, 151, 152, 152, 153, 153, 154, 154, 155, 155, 156, 156, 157, 157, 158, 158, 159, 159, 160, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 179, 180, 180, 181, 181, 182, 182, 183, 183, 184, 184, 185, 185, 186, 186, 187, 187, 188, 188, 189, 189, 190, 190, 191, 191, 192, 192, 193, 193, 194, 194, 195, 195, 196, 196, 197 ]

[ "supplementary", "materials" ]

[ [ 60, 273.6, 188.4, 293.6 ], [ 194, 273.6, 274, 293.6 ] ]

[ 0, 0 ]

[ 0, 0 ]

[ 0, 0 ]

[ "supplementary", "materials", "Figures", "N-tert-Butyl-5α-androstane-17β-carboxamide", "Fig.", "1.", "The", "molecular", "structure", "of", "(I),", "with", "atom", "labels", "and", "30%", "probability", "displacement", "el-", "lipsoids", "for", "non-H", "atoms.", "Crystal", "data", "C24H41NO", "Mr", "=", "359.58", "Orthorhombic,", "P212121", "Hall", "symbol:", "P", "2ac", "2ab", "a", "=", "6.373", "(2)", "Å", "b", "=", "12.802", "(4)", "Å", "c", "=", "26.775", "(9)", "Å", "V", "=", "2184.3", "(12)", "Å3", "Z", "=", "4", "F000", "=", "800", "Data", "collection", "Bruker", "SMART", "CCD", "area-detector", "diffractometer", "Radiation", "source:", "sealed", "tube", "Monochromator:", "graphite", "T", "=", "294", "K", "φ", "and", "ω", "scans", "Absorption", "correction:", "Multi-Scan", "(SADABS;", "Sheldrick,", "1996)", "Tmin", "=", "0.990,", "Tmax", "=", "0.996", "10583", "measured", "reflections", "Refinement", "Refinement", "on", "F2", "Least-squares", "matrix:", "full", "R[F2", ">", "2σ(F2)]", "=", "0.037", "wR(F2)", "=", "0.068", "S", "=", "0.75", "2757", "reflections", "sup-2", "Dx", "=", "1.093", "Mg", "m−3", "Melting", "point:", "451.5", "K", "Mo", "Kα", "radiation", "λ", "=", "0.71073", "Å", "Cell", "parameters", "from", "962", "reflections", "θ", "=", "2.8–19.0º", "µ", "=", "0.07", "mm−1", "T", "=", "294", "K", "Parallelepiped,", "colourless", "0.15", "×", "0.08", "×", "0.06", "mm", "2757", "independent", "reflections", "1433", "reflections", "with", "I", ">", "2σ(I)", "Rint", "=", "0.063", "θmax", "=", "27.1º", "θmin", "=", "1.5º", "h", "=", "−8→8", "k", "=", "−16→16", "l", "=", "−34→22", "Secondary", "atom", "site", "location:", "difference", "Fourier", "map", "Hydrogen", "site", "location:", "inferred", "from", "neighbouring", "sites", "H-atom", "parameters", "constrained", "w", "=", "1/[σ2(Fo2)", "+", "(0.0299P)2]", "where", "P", "=", "(Fo2", "+", "2Fc2)/3", "(Δ/σ)max", "<", "0.001", "Δρmax", "=", "0.10", "e", "Å−3" ]

[ [ 60, 37.4, 162.8, 53.4 ], [ 167.2, 37.4, 231.2, 53.4 ], [ 60, 93, 90.9, 103 ], [ 60, 180.2, 258.3, 190.3 ], [ 171.2, 120.7, 187, 130.7 ], [ 189.5, 120.7, 197, 130.7 ], [ 199.5, 120.7, 215.1, 130.7 ], [ 217.6, 120.7, 257.5, 130.7 ], [ 260, 120.7, 294.9, 130.7 ], [ 297.4, 120.7, 305.8, 130.7 ], [ 308.3, 120.7, 320.8, 130.7 ], [ 323.3, 120.7, 341, 130.7 ], [ 343.5, 120.7, 363.5, 130.7 ], [ 366, 120.7, 389.3, 130.7 ], [ 391.8, 120.7, 406.2, 130.7 ], [ 408.7, 120.7, 427, 130.7 ], [ 429.5, 120.7, 473.4, 130.7 ], [ 475.9, 120.7, 528.6, 130.7 ], [ 531.1, 120.7, 541.6, 130.7 ], [ 171.2, 132.7, 202.3, 142.7 ], [ 204.8, 132.7, 216.4, 142.7 ], [ 219, 132.7, 244.5, 142.7 ], [ 247, 132.7, 273.4, 142.7 ], [ 60, 212.3, 89.4, 222.3 ], [ 91.9, 212.3, 109.7, 222.3 ], [ 61.2, 231.8, 100.6, 241.8 ], [ 61.2, 247.4, 71.4, 257.4 ], [ 73.6, 247.4, 78.7, 256.4 ], [ 81, 247.4, 105.7, 256.4 ], [ 61.2, 266.5, 114.4, 275.5 ], [ 116.7, 266.5, 146.1, 276.6 ], [ 61.2, 285.6, 76.7, 294.6 ], [ 78.9, 285.6, 107.9, 294.6 ], [ 110.2, 285.6, 115.2, 294.6 ], [ 117.4, 285.6, 129.9, 294.6 ], [ 132.1, 285.6, 145.1, 294.6 ], [ 61.2, 298.8, 65.7, 307.8 ], [ 68, 298.9, 73, 307.9 ], [ 75.3, 298.9, 95.5, 307.9 ], [ 97.8, 298.9, 108.3, 307.9 ], [ 110.5, 298.9, 117, 307.9 ], [ 61.2, 313.3, 65.7, 322.3 ], [ 68, 313.4, 73, 322.4 ], [ 75.3, 313.4, 100, 322.4 ], [ 102.3, 313.4, 112.8, 322.4 ], [ 115, 313.4, 121.5, 322.4 ], [ 61.2, 327.8, 65.2, 336.8 ], [ 67.4, 327.9, 72.5, 336.9 ], [ 74.8, 327.9, 99.5, 336.9 ], [ 101.8, 327.9, 112.2, 336.9 ], [ 114.5, 327.9, 121, 336.9 ], [ 61.2, 343.6, 66.7, 352.6 ], [ 68.9, 343.7, 74, 352.7 ], [ 76.3, 343.7, 101, 352.7 ], [ 103.3, 343.7, 118.3, 352.7 ], [ 120.5, 341.2, 130.5, 352.7 ], [ 61.2, 356.8, 66.2, 365.8 ], [ 68.5, 356.9, 73.5, 365.9 ], [ 75.8, 356.9, 80.3, 365.9 ], [ 61.2, 370, 77.1, 380.1 ], [ 79.4, 370.1, 84.4, 379.1 ], [ 86.7, 370.1, 100.2, 379.1 ], [ 60, 403.2, 80, 413.2 ], [ 82.5, 403.2, 121.9, 413.2 ], [ 61.2, 421.4, 86.2, 430.4 ], [ 88.4, 421.4, 118.9, 430.4 ], [ 121.1, 421.4, 139.6, 430.4 ], [ 141.9, 421.4, 188.8, 430.4 ], [ 61.2, 432.2, 112.4, 441.2 ], [ 61.2, 445.4, 96.1, 454.4 ], [ 98.4, 445.4, 124.4, 454.4 ], [ 126.6, 445.4, 149.1, 454.4 ], [ 151.3, 445.4, 166.8, 454.4 ], [ 61.2, 459.2, 122.1, 468.2 ], [ 124.4, 459.2, 153.9, 468.2 ], [ 61.2, 473.4, 66.2, 482.4 ], [ 68.5, 473.5, 73.5, 482.5 ], [ 75.8, 473.5, 89.3, 482.5 ], [ 91.5, 473.5, 98, 482.5 ], [ 61.2, 487.8, 66.4, 496.8 ], [ 68.6, 487.8, 81.6, 496.8 ], [ 83.9, 487.8, 89.8, 496.8 ], [ 92.1, 487.8, 111.5, 496.8 ], [ 61.2, 501.5, 101.7, 510.5 ], [ 103.9, 501.5, 142.9, 510.5 ], [ 145.1, 501.5, 185.6, 510.5 ], [ 61.2, 512.3, 102.2, 521.3 ], [ 104.4, 512.3, 141.1, 521.3 ], [ 143.4, 512.3, 164.4, 521.3 ], [ 61.2, 525.5, 77, 535.6 ], [ 79.2, 525.5, 84.3, 534.5 ], [ 86.6, 525.5, 109.1, 534.5 ], [ 111.3, 525.5, 128.3, 535.6 ], [ 130.5, 525.5, 135.6, 534.5 ], [ 137.8, 525.5, 158.1, 534.5 ], [ 61.2, 539.8, 83.7, 548.8 ], [ 86, 539.8, 120.4, 548.8 ], [ 122.7, 539.8, 160.6, 548.8 ], [ 60, 571.9, 104.9, 581.9 ], [ 61.2, 592.6, 103.1, 601.6 ], [ 105.4, 592.6, 114.4, 601.6 ], [ 116.6, 590.2, 125.6, 601.6 ], [ 61.2, 611.2, 110.6, 620.2 ], [ 112.9, 611.2, 138.8, 620.2 ], [ 141.1, 611.2, 153.6, 620.2 ], [ 61.2, 630, 78.6, 641.4 ], [ 80.9, 632.4, 86, 641.4 ], [ 88.2, 630, 115.5, 641.4 ], [ 117.8, 632.4, 122.8, 641.4 ], [ 125.1, 632.4, 145.3, 641.4 ], [ 61.2, 653.6, 87.6, 665.1 ], [ 89.9, 656.1, 95, 665.1 ], [ 97.2, 656.1, 117.5, 665.1 ], [ 61.2, 677.6, 65.7, 686.6 ], [ 68, 677.6, 73, 686.6 ], [ 75.3, 677.6, 91, 686.6 ], [ 61.2, 693.2, 79.2, 702.2 ], [ 81.4, 693.2, 119.4, 702.2 ], [ 60, 744.4, 88.7, 756.4 ], [ 257.1, 233, 267, 243.1 ], [ 269.3, 233.1, 274.4, 242.1 ], [ 276.6, 233.1, 296.9, 242.1 ], [ 299.1, 233.1, 311.6, 242.1 ], [ 313.9, 230.6, 328.2, 242.1 ], [ 257.1, 247.9, 285.5, 256.9 ], [ 287.8, 247.9, 308.8, 256.9 ], [ 311, 247.9, 331.3, 256.9 ], [ 333.5, 247.9, 340, 256.9 ], [ 257.1, 261.6, 269.6, 270.6 ], [ 271.8, 261.6, 282.5, 270.6 ], [ 284.8, 261.6, 316.7, 270.6 ], [ 257.1, 272.4, 261.4, 281.4 ], [ 263.7, 272.4, 268.8, 281.4 ], [ 271, 272.4, 300.3, 281.4 ], [ 302.5, 272.4, 309, 281.4 ], [ 257.1, 285.6, 272, 294.6 ], [ 274.3, 285.6, 313.7, 294.6 ], [ 316, 285.6, 333.5, 294.6 ], [ 335.7, 285.6, 349.2, 294.6 ], [ 351.5, 285.6, 389.4, 294.6 ], [ 257.1, 298.8, 261.4, 307.8 ], [ 263.6, 298.8, 268.7, 307.8 ], [ 271, 298.8, 305.2, 307.8 ], [ 257.1, 314.6, 262.3, 323.6 ], [ 264.5, 314.6, 269.6, 323.6 ], [ 271.8, 314.6, 287.6, 323.6 ], [ 289.8, 312.2, 311.2, 323.6 ], [ 257.1, 327.8, 262.1, 336.8 ], [ 264.3, 327.9, 269.4, 336.9 ], [ 271.7, 327.9, 285.2, 336.9 ], [ 287.4, 327.9, 293.9, 336.9 ], [ 257.1, 342.4, 310.7, 351.4 ], [ 313, 342.4, 349.4, 351.4 ], [ 257.1, 356.9, 272.8, 365.9 ], [ 275.1, 356.9, 280.1, 365.9 ], [ 282.4, 356.9, 298.1, 365.9 ], [ 300.4, 356.9, 305.5, 365.9 ], [ 307.7, 356.9, 323.5, 365.9 ], [ 325.7, 356.9, 339.7, 365.9 ], [ 257.1, 426.8, 275.1, 435.8 ], [ 277.3, 426.8, 321.3, 435.8 ], [ 323.5, 426.8, 361.5, 435.8 ], [ 257.1, 445.4, 275.1, 454.4 ], [ 277.3, 445.4, 315.3, 454.4 ], [ 317.5, 445.4, 333.5, 454.4 ], [ 335.7, 445.4, 338.7, 454.4 ], [ 341, 445.4, 346.1, 454.4 ], [ 348.3, 445.4, 366.7, 454.4 ], [ 257.1, 458.6, 269.9, 468.7 ], [ 272.1, 458.6, 277.2, 467.6 ], [ 279.5, 458.6, 299.7, 467.6 ], [ 257.1, 472.9, 273.3, 483 ], [ 275.6, 472.9, 280.7, 481.9 ], [ 282.9, 472.9, 301.4, 481.9 ], [ 257.1, 487.2, 272.2, 497.3 ], [ 274.4, 487.2, 279.5, 496.2 ], [ 281.7, 487.2, 295.8, 496.2 ], [ 257.1, 506.9, 261.6, 515.9 ], [ 263.8, 506.9, 268.9, 515.9 ], [ 271.1, 506.9, 294.2, 515.9 ], [ 257.1, 526.1, 261.1, 535.1 ], [ 263.3, 526.1, 268.4, 535.1 ], [ 270.6, 526.1, 302.7, 535.1 ], [ 257.1, 539.8, 259.6, 548.8 ], [ 261.8, 539.9, 266.9, 548.9 ], [ 269.1, 539.9, 301.2, 548.9 ], [ 257.1, 591.4, 295, 600.4 ], [ 297.3, 591.4, 315.3, 600.4 ], [ 317.5, 591.4, 330, 600.4 ], [ 332.2, 591.4, 363.7, 600.4 ], [ 365.9, 591.4, 402.2, 600.4 ], [ 404.5, 591.4, 430.9, 600.4 ], [ 433.2, 591.4, 448.7, 600.4 ], [ 257.1, 605.8, 293.1, 614.8 ], [ 295.3, 605.8, 307.8, 614.8 ], [ 310, 605.8, 341.5, 614.8 ], [ 343.7, 605.8, 372.2, 614.8 ], [ 374.4, 605.8, 391.9, 614.8 ], [ 394.2, 605.8, 442.1, 614.8 ], [ 257.1, 616.6, 273.1, 625.6 ], [ 257.1, 631.1, 284.5, 640.1 ], [ 286.8, 631.1, 326.2, 640.1 ], [ 328.5, 631.1, 369.9, 640.1 ], [ 261.6, 648.2, 267.6, 657.2 ], [ 269.8, 648.2, 274.9, 657.2 ], [ 277.1, 645.8, 313.9, 658.3 ], [ 316.1, 648.2, 321.2, 657.2 ], [ 323.4, 645.8, 366.2, 657.2 ], [ 257.1, 662.8, 279, 671.8 ], [ 281.3, 662.7, 286.8, 671.7 ], [ 289, 662.8, 294.1, 671.8 ], [ 296.4, 660.3, 311.8, 672.8 ], [ 314, 662.8, 319.1, 671.8 ], [ 321.4, 660.3, 347.9, 672.8 ], [ 257.1, 677.1, 288.1, 687.1 ], [ 290.4, 677.1, 295.5, 686.1 ], [ 297.7, 677.1, 318, 686.1 ], [ 257.1, 694, 279.3, 704 ], [ 281.6, 694, 286.6, 703 ], [ 288.9, 694, 304.6, 703 ], [ 306.9, 694, 310.9, 703 ], [ 313.1, 691.5, 327, 703 ] ]

[ 2, 2, 6, 0, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]

[ 0, 0, 1, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 5, 6, 6, 6, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 12, 12, 12, 13, 13, 13, 14, 14, 14, 14, 14, 15, 15, 15, 16, 16, 16, 16, 16, 17, 18, 18, 18, 18, 18, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 20, 20, 20, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 22, 22, 22, 23, 23, 23, 23, 23, 23, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25 ]

[ 0, 0, 1, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 5, 5, 6, 7, 7, 7, 8, 8, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 12, 12, 12, 12, 12, 13, 13, 13, 13, 13, 14, 14, 14, 15, 15, 15, 16, 16, 17, 17, 17, 17, 18, 19, 19, 19, 19, 20, 20, 21, 21, 21, 21, 22, 22, 22, 22, 23, 23, 23, 24, 24, 24, 25, 25, 25, 25, 25, 25, 26, 26, 26, 27, 28, 28, 28, 29, 29, 29, 30, 30, 30, 30, 30, 31, 31, 31, 32, 32, 32, 33, 33, 34, 35, 35, 35, 35, 35, 36, 36, 36, 36, 37, 37, 37, 38, 38, 38, 38, 39, 39, 39, 39, 39, 40, 40, 40, 41, 41, 41, 41, 42, 42, 42, 42, 43, 43, 44, 44, 44, 44, 44, 44, 45, 45, 45, 46, 46, 46, 46, 46, 46, 47, 47, 47, 48, 48, 48, 49, 49, 49, 50, 50, 50, 51, 51, 51, 52, 52, 52, 53, 53, 53, 53, 53, 53, 53, 54, 54, 54, 54, 54, 54, 55, 56, 56, 56, 57, 57, 57, 57, 57, 58, 58, 58, 58, 58, 58, 59, 59, 59, 60, 60, 60, 60, 60 ]

[ "supplementary", "materials", "C8—C9", "C8—H8", "C9—C11", "C9—C10", "C9—H9", "C10—C19", "C11—C12", "C11—H11A", "C20—N1—C21", "C20—N1—H1", "C21—N1—H1", "C2—C1—C10", "C2—C1—H1A", "C10—C1—H1A", "C2—C1—H1B", "C10—C1—H1B", "H1A—C1—H1B", "C3—C2—C1", "C3—C2—H2A", "C1—C2—H2A", "C3—C2—H2B", "C1—C2—H2B", "H2A—C2—H2B", "C2—C3—C4", "C2—C3—H3A", "C4—C3—H3A", "C2—C3—H3B", "C4—C3—H3B", "H3A—C3—H3B", "C3—C4—C5", "C3—C4—H4A", "C5—C4—H4A", "C3—C4—H4B", "C5—C4—H4B", "H4A—C4—H4B", "C6—C5—C4", "C6—C5—C10", "C4—C5—C10", "C6—C5—H5", "C4—C5—H5", "C10—C5—H5", "C5—C6—C7", "C5—C6—H6A", "C7—C6—H6A", "C5—C6—H6B", "C7—C6—H6B", "H6A—C6—H6B", "C8—C7—C6", "C8—C7—H7A", "sup-6", "1.542", "(3)", "0.9800", "1.532", "(2)", "1.554", "(2)", "0.9800", "1.530", "(3)", "1.532", "(3)", "0.9700", "126.2", "(2)", "116.9", "116.9", "113.91", "(17)", "108.8", "108.8", "108.8", "108.8", "107.7", "112.51", "(19)", "109.1", "109.1", "109.1", "109.1", "107.8", "112.5", "(2)", "109.1", "109.1", "109.1", "109.1", "107.8", "111.98", "(19)", "109.2", "109.2", "109.2", "109.2", "107.9", "112.29", "(18)", "113.84", "(17)", "113.54", "(18)", "105.4", "105.4", "105.4", "112.36", "(18)", "109.1", "109.1", "109.1", "109.1", "107.9", "111.84", "(16)", "109.2", "C22—H22B", "C22—H22C", "C23—H23A", "C23—H23B", "C23—H23C", "C24—H24A", "C24—H24B", "C24—H24C", "C13—C12—H12B", "C11—C12—H12B", "H12A—C12—H12B", "C12—C13—C14", "C12—C13—C18", "C14—C13—C18", "C12—C13—C17", "C14—C13—C17", "C18—C13—C17", "C8—C14—C15", "C8—C14—C13", "C15—C14—C13", "C8—C14—H14", "C15—C14—H14", "C13—C14—H14", "C14—C15—C16", "C14—C15—H15A", "C16—C15—H15A", "C14—C15—H15B", "C16—C15—H15B", "H15A—C15—H15B", "C15—C16—C17", "C15—C16—H16A", "C17—C16—H16A", "C15—C16—H16B", "C17—C16—H16B", "H16A—C16—H16B", "C20—C17—C16", "C20—C17—C13", "C16—C17—C13", "C20—C17—H17", "C16—C17—H17", "C13—C17—H17", "C13—C18—H18A", "C13—C18—H18B", "H18A—C18—H18B", "C13—C18—H18C", "H18A—C18—H18C", "H18B—C18—H18C", "C10—C19—H19A", "C10—C19—H19B", "0.9599", "0.9599", "0.9599", "0.9599", "0.9599", "0.9599", "0.9599", "0.9599", "109.4", "109.4", "108.0", "107.69", "(17)", "110.23", "(17)", "112.79", "(16)", "116.70", "(16)", "100.48", "(14)", "108.70", "(17)", "118.68", "(17)", "113.62", "(16)", "104.39", "(16)", "106.5", "106.5", "106.5", "104.07", "(17)", "110.9", "110.9", "110.9", "110.9", "109.0", "106.73", "(16)", "110.4", "110.4", "110.4", "110.4", "108.6", "112.92", "(19)", "114.68", "(16)", "104.10", "(15)", "108.3", "108.3", "108.3", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5", "109.5" ]

[ [ 60, 37.4, 162.8, 53.4 ], [ 167.2, 37.4, 231.2, 53.4 ], [ 61.2, 74.2, 91.2, 83.2 ], [ 61.2, 87.4, 91.7, 96.4 ], [ 61.2, 100.6, 95.4, 109.6 ], [ 61.2, 113.8, 95.7, 122.8 ], [ 61.2, 127, 91.7, 136 ], [ 61.2, 140.2, 100.2, 149.2 ], [ 61.2, 153.4, 99.9, 162.4 ], [ 61.2, 166.6, 106.5, 175.6 ], [ 61.2, 182.2, 120.2, 191.2 ], [ 61.2, 195.4, 116.2, 204.4 ], [ 61.2, 208.6, 116.2, 217.6 ], [ 61.2, 221.8, 115.2, 230.8 ], [ 61.2, 235, 117.7, 244 ], [ 61.2, 248.2, 122.2, 257.2 ], [ 61.2, 261.4, 117.2, 270.4 ], [ 61.2, 274.6, 121.7, 283.6 ], [ 61.2, 287.8, 124.2, 296.8 ], [ 61.2, 301, 110.7, 310 ], [ 61.2, 314.2, 117.7, 323.2 ], [ 61.2, 327.4, 117.7, 336.4 ], [ 61.2, 340.6, 117.2, 349.6 ], [ 61.2, 353.8, 117.2, 362.8 ], [ 61.2, 367, 124.2, 376 ], [ 61.2, 380.2, 110.7, 389.2 ], [ 61.2, 393.4, 117.7, 402.4 ], [ 61.2, 406.6, 117.7, 415.6 ], [ 61.2, 419.8, 117.2, 428.8 ], [ 61.2, 433, 117.2, 442 ], [ 61.2, 446.2, 124.2, 455.2 ], [ 61.2, 459.4, 110.7, 468.4 ], [ 61.2, 472.6, 117.7, 481.6 ], [ 61.2, 485.8, 117.7, 494.8 ], [ 61.2, 499, 117.2, 508 ], [ 61.2, 512.2, 117.2, 521.2 ], [ 61.2, 525.4, 124.2, 534.4 ], [ 61.2, 538.6, 110.7, 547.6 ], [ 61.2, 551.8, 115.2, 560.8 ], [ 61.2, 565, 115.2, 574 ], [ 61.2, 578.2, 111.2, 587.2 ], [ 61.2, 591.4, 111.2, 600.4 ], [ 61.2, 604.6, 115.7, 613.6 ], [ 61.2, 617.8, 110.7, 626.8 ], [ 61.2, 631, 117.7, 640 ], [ 61.2, 644.2, 117.7, 653.2 ], [ 61.2, 657.4, 117.2, 666.4 ], [ 61.2, 670.6, 117.2, 679.6 ], [ 61.2, 683.8, 124.2, 692.8 ], [ 61.2, 697, 110.7, 706 ], [ 61.2, 710.2, 117.7, 719.2 ], [ 60, 744.4, 88.7, 756.4 ], [ 208.1, 74.2, 228.4, 83.2 ], [ 230.6, 74.2, 241.1, 83.2 ], [ 208.1, 87.4, 232.9, 96.4 ], [ 208.1, 100.6, 228.4, 109.6 ], [ 230.6, 100.6, 241.1, 109.6 ], [ 208.1, 113.8, 228.4, 122.8 ], [ 230.6, 113.8, 241.1, 122.8 ], [ 208.1, 127, 232.9, 136 ], [ 208.1, 140.2, 228.4, 149.2 ], [ 230.6, 140.2, 241.1, 149.2 ], [ 208.1, 153.4, 228.4, 162.4 ], [ 230.6, 153.4, 241.1, 162.4 ], [ 208.1, 166.6, 232.9, 175.6 ], [ 208.1, 182.2, 228.4, 191.2 ], [ 230.6, 182.2, 241.1, 191.2 ], [ 208.1, 195.4, 228, 204.4 ], [ 208.1, 208.6, 228, 217.6 ], [ 208.1, 221.8, 232.5, 230.8 ], [ 234.8, 221.8, 249.8, 230.8 ], [ 208.1, 235, 228.4, 244 ], [ 208.1, 248.2, 228.4, 257.2 ], [ 208.1, 261.4, 228.4, 270.4 ], [ 208.1, 274.6, 228.4, 283.6 ], [ 208.1, 287.8, 228.4, 296.8 ], [ 208.1, 301, 232.5, 310 ], [ 234.8, 301, 249.8, 310 ], [ 208.1, 314.2, 228.4, 323.2 ], [ 208.1, 327.4, 228.4, 336.4 ], [ 208.1, 340.6, 228.4, 349.6 ], [ 208.1, 353.8, 228.4, 362.8 ], [ 208.1, 367, 228.4, 376 ], [ 208.1, 380.2, 228, 389.2 ], [ 230.3, 380.2, 240.8, 389.2 ], [ 208.1, 393.4, 228.4, 402.4 ], [ 208.1, 406.6, 228.4, 415.6 ], [ 208.1, 419.8, 228.4, 428.8 ], [ 208.1, 433, 228.4, 442 ], [ 208.1, 446.2, 228.4, 455.2 ], [ 208.1, 459.4, 232.2, 468.4 ], [ 234.4, 459.4, 249.4, 468.4 ], [ 208.1, 472.6, 228.4, 481.6 ], [ 208.1, 485.8, 228.4, 494.8 ], [ 208.1, 499, 228.4, 508 ], [ 208.1, 512.2, 228.4, 521.2 ], [ 208.1, 525.4, 228.4, 534.4 ], [ 208.1, 538.6, 232.5, 547.6 ], [ 234.8, 538.6, 249.8, 547.6 ], [ 208.1, 551.8, 232.5, 560.8 ], [ 234.8, 551.8, 249.8, 560.8 ], [ 208.1, 565, 232.5, 574 ], [ 234.8, 565, 249.8, 574 ], [ 208.1, 578.2, 228.4, 587.2 ], [ 208.1, 591.4, 228.4, 600.4 ], [ 208.1, 604.6, 228.4, 613.6 ], [ 208.1, 617.8, 232.5, 626.8 ], [ 234.8, 617.8, 249.8, 626.8 ], [ 208.1, 631, 228.4, 640 ], [ 208.1, 644.2, 228.4, 653.2 ], [ 208.1, 657.4, 228.4, 666.4 ], [ 208.1, 670.6, 228.4, 679.6 ], [ 208.1, 683.8, 228.4, 692.8 ], [ 208.1, 697, 232.2, 706 ], [ 234.4, 697, 249.4, 706 ], [ 208.1, 710.2, 228.4, 719.2 ], [ 306, 74.2, 351.5, 83.2 ], [ 306, 87.4, 351.5, 96.4 ], [ 306, 100.6, 352, 109.6 ], [ 306, 113.8, 351.5, 122.8 ], [ 306, 127, 351.5, 136 ], [ 306, 140.2, 352, 149.2 ], [ 306, 153.4, 351.5, 162.4 ], [ 306, 166.6, 351.5, 175.6 ], [ 306, 182.2, 375.5, 191.2 ], [ 306, 195.4, 375.2, 204.4 ], [ 306, 208.6, 382.5, 217.6 ], [ 306, 221.8, 369, 230.8 ], [ 306, 235, 369, 244 ], [ 306, 248.2, 369, 257.2 ], [ 306, 261.4, 369, 270.4 ], [ 306, 274.6, 369, 283.6 ], [ 306, 287.8, 369, 296.8 ], [ 306, 301, 364.5, 310 ], [ 306, 314.2, 364.5, 323.2 ], [ 306, 327.4, 369, 336.4 ], [ 306, 340.6, 365, 349.6 ], [ 306, 353.8, 369.5, 362.8 ], [ 306, 367, 369.5, 376 ], [ 306, 380.2, 369, 389.2 ], [ 306, 393.4, 376, 402.4 ], [ 306, 406.6, 376, 415.6 ], [ 306, 419.8, 375.5, 428.8 ], [ 306, 433, 375.5, 442 ], [ 306, 446.2, 382.5, 455.2 ], [ 306, 459.4, 369, 468.4 ], [ 306, 472.6, 376, 481.6 ], [ 306, 485.8, 376, 494.8 ], [ 306, 499, 375.5, 508 ], [ 306, 512.2, 375.5, 521.2 ], [ 306, 525.4, 382.5, 534.4 ], [ 306, 538.6, 369, 547.6 ], [ 306, 551.8, 369, 560.8 ], [ 306, 565, 369, 574 ], [ 306, 578.2, 369.5, 587.2 ], [ 306, 591.4, 369.5, 600.4 ], [ 306, 604.6, 369.5, 613.6 ], [ 306, 617.8, 376, 626.8 ], [ 306, 631, 375.5, 640 ], [ 306, 644.2, 382.5, 653.2 ], [ 306, 657.4, 375.5, 666.4 ], [ 306, 670.6, 382.5, 679.6 ], [ 306, 683.8, 382, 692.8 ], [ 306, 697, 376, 706 ], [ 306, 710.2, 375.5, 719.2 ], [ 453, 74.2, 477.7, 83.2 ], [ 453, 87.4, 477.7, 96.4 ], [ 453, 100.6, 477.7, 109.6 ], [ 453, 113.8, 477.7, 122.8 ], [ 453, 127, 477.7, 136 ], [ 453, 140.2, 477.7, 149.2 ], [ 453, 153.4, 477.7, 162.4 ], [ 453, 166.6, 477.7, 175.6 ], [ 453, 182.2, 473.2, 191.2 ], [ 453, 195.4, 473.2, 204.4 ], [ 453, 208.6, 473.2, 217.6 ], [ 453, 221.8, 477.7, 230.8 ], [ 480, 221.8, 495, 230.8 ], [ 453, 235, 477.4, 244 ], [ 479.6, 235, 494.6, 244 ], [ 453, 248.2, 477.4, 257.2 ], [ 479.6, 248.2, 494.6, 257.2 ], [ 453, 261.4, 477.4, 270.4 ], [ 479.6, 261.4, 494.6, 270.4 ], [ 453, 274.6, 477.7, 283.6 ], [ 480, 274.6, 495, 283.6 ], [ 453, 287.8, 477.7, 296.8 ], [ 480, 287.8, 495, 296.8 ], [ 453, 301, 477.4, 310 ], [ 479.6, 301, 494.6, 310 ], [ 453, 314.2, 477.4, 323.2 ], [ 479.6, 314.2, 494.6, 323.2 ], [ 453, 327.4, 477.7, 336.4 ], [ 480, 327.4, 495, 336.4 ], [ 453, 340.6, 473.2, 349.6 ], [ 453, 353.8, 473.2, 362.8 ], [ 453, 367, 473.2, 376 ], [ 453, 380.2, 477.7, 389.2 ], [ 480, 380.2, 495, 389.2 ], [ 453, 393.4, 472.9, 402.4 ], [ 453, 406.6, 472.9, 415.6 ], [ 453, 419.8, 472.9, 428.8 ], [ 453, 433, 472.9, 442 ], [ 453, 446.2, 473.2, 455.2 ], [ 453, 459.4, 477.7, 468.4 ], [ 480, 459.4, 495, 468.4 ], [ 453, 472.6, 472.9, 481.6 ], [ 453, 485.8, 472.9, 494.8 ], [ 453, 499, 472.9, 508 ], [ 453, 512.2, 472.9, 521.2 ], [ 453, 525.4, 473.2, 534.4 ], [ 453, 538.6, 477.4, 547.6 ], [ 479.6, 538.6, 494.6, 547.6 ], [ 453, 551.8, 477.4, 560.8 ], [ 479.6, 551.8, 494.6, 560.8 ], [ 453, 565, 477.7, 574 ], [ 480, 565, 495, 574 ], [ 453, 578.2, 473.2, 587.2 ], [ 453, 591.4, 473.2, 600.4 ], [ 453, 604.6, 473.2, 613.6 ], [ 453, 617.8, 473.2, 626.8 ], [ 453, 631, 473.2, 640 ], [ 453, 644.2, 473.2, 653.2 ], [ 453, 657.4, 473.2, 666.4 ], [ 453, 670.6, 473.2, 679.6 ], [ 453, 683.8, 473.2, 692.8 ], [ 453, 697, 473.2, 706 ], [ 453, 710.2, 473.2, 719.2 ] ]

[ 2, 2, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]

[ 0, 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 51, 52, 53, 53, 54, 54, 55, 56, 56, 57, 57, 58, 59, 59, 60, 61, 62, 62, 63, 64, 65, 66, 67, 68, 68, 69, 70, 71, 72, 73, 74, 74, 75, 76, 77, 78, 79, 80, 80, 81, 82, 83, 84, 85, 86, 86, 87, 87, 88, 88, 89, 90, 91, 92, 92, 93, 94, 95, 96, 97, 98, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 160, 161, 161, 162, 162, 163, 163, 164, 164, 165, 165, 166, 166, 167, 167, 168, 168, 169, 170, 171, 172, 172, 173, 174, 175, 176, 177, 178, 178, 179, 180, 181, 182, 183, 184, 184, 185, 185, 186, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197 ]

[ "0.069", "(2)", "0.0739", "(18)", "0.0440", "(15)", "0.0386", "(13)", "0.0367", "(14)", "0.0466", "(15)", "0.0482", "(15)", "0.0392", "(14)", "0.0486", "(15)", "0.0699", "(19)", "0.0740", "(19)", "0.0508", "(15)", "0.0607", "(16)", "0.0584", "(18)", "0.0608", "(18)", "0.073", "(2)", "0.135", "(3)", "0.085", "(2)", "0.113", "(2)", "Geometric", "parameters", "(Å,", "°)", "C6", "C7", "C8", "C9", "C10", "C11", "C12", "C13", "C14", "C15", "C16", "C17", "C18", "C19", "C20", "C21", "C22", "C23", "C24", "N1—C20", "N1—C21", "N1—H1", "O1—C20", "C1—C2", "C1—C10", "C1—H1A", "C1—H1B", "C2—C3", "C2—H2A", "C2—H2B", "C3—C4", "C3—H3A", "C3—H3B", "C4—C5", "C4—H4A", "C4—H4B", "C5—C6", "C5—C10", "C5—H5", "C6—C7", "C6—H6A", "C6—H6B", "C7—C8", "C7—H7A", "C7—H7B", "C8—C14", "0.0696", "(15)", "0.0619", "(14)", "0.0451", "(12)", "0.0454", "(12)", "0.0471", "(12)", "0.0642", "(14)", "0.0620", "(14)", "0.0419", "(11)", "0.0413", "(11)", "0.0552", "(14)", "0.0529", "(13)", "0.0464", "(12)", "0.0527", "(13)", "0.0646", "(15)", "0.0484", "(13)", "0.0573", "(14)", "0.0530", "(15)", "0.124", "(2)", "0.0870", "(17)", "1.345", "(3)", "1.468", "(3)", "0.8600", "1.227", "(3)", "1.522", "(3)", "1.535", "(3)", "0.9700", "0.9700", "1.502", "(3)", "0.9700", "0.9700", "1.513", "(3)", "0.9700", "0.9700", "1.524", "(3)", "0.9700", "0.9700", "1.498", "(3)", "1.541", "(3)", "0.9800", "1.525", "(2)", "0.9700", "0.9700", "1.524", "(2)", "0.9700", "0.9700", "1.515", "(2)", "0.0443", "(14)", "0.0483", "(14)", "0.0386", "(12)", "0.0351", "(12)", "0.0363", "(12)", "0.0415", "(12)", "0.0395", "(12)", "0.0336", "(11)", "0.0409", "(12)", "0.0451", "(13)", "0.0527", "(14)", "0.0355", "(12)", "0.0485", "(14)", "0.0522", "(14)", "0.0370", "(13)", "0.0492", "(14)", "0.0855", "(19)", "0.098", "(2)", "0.0447", "(14)", "supplementary", "materials", "0.0139", "(14)", "0.0217", "(14)", "0.0060", "(11)", "−0.0033", "(11)", "−0.0011", "(11)", "0.0151", "(12)", "0.0051", "(13)", "0.0017", "(11)", "0.0021", "(12)", "0.0215", "(14)", "0.0134", "(14)", "−0.0004", "(12)", "−0.0046", "(13)", "−0.0089", "(14)", "0.0006", "(14)", "0.0029", "(14)", "−0.0078", "(19)", "0.017", "(2)", "−0.0078", "(18)", "−0.0002", "(12)", "0.0024", "(13)", "0.0060", "(10)", "0.0036", "(10)", "0.0051", "(10)", "−0.0001", "(11)", "0.0042", "(11)", "0.0008", "(10)", "0.0023", "(11)", "−0.0044", "(12)", "−0.0027", "(13)", "−0.0007", "(11)", "0.0004", "(12)", "−0.0024", "(13)", "0.0000", "(13)", "0.0018", "(13)", "0.0009", "(19)", "0.016", "(2)", "−0.0044", "(16)", "−0.0153", "(12)", "−0.0083", "(12)", "−0.0030", "(10)", "−0.0027", "(10)", "0.0010", "(10)", "−0.0012", "(11)", "−0.0075", "(11)", "−0.0009", "(10)", "0.0032", "(10)", "−0.0012", "(11)", "0.0028", "(12)", "0.0017", "(10)", "0.0035", "(11)", "0.0098", "(12)", "0.0067", "(11)", "−0.0104", "(13)", "−0.0047", "(14)", "−0.0481", "(19)", "−0.0127", "(14)", "C11—H11B", "C12—C13", "C12—H12A", "C12—H12B", "C13—C14", "C13—C18", "C13—C17", "C14—C15", "C14—H14", "C15—C16", "C15—H15A", "C15—H15B", "C16—C17", "C16—H16A", "C16—H16B", "C17—C20", "C17—H17", "C18—H18A", "C18—H18B", "C18—H18C", "C19—H19A", "C19—H19B", "C19—H19C", "C21—C23", "C21—C24", "C21—C22", "C22—H22A", "0.9700", "1.519", "(3)", "0.9700", "0.9700", "1.531", "(3)", "1.539", "(3)", "1.549", "(3)", "1.524", "(3)", "0.9800", "1.542", "(2)", "0.9700", "0.9700", "1.542", "(3)", "0.9700", "0.9700", "1.513", "(3)", "0.9800", "0.9599", "0.9599", "0.9599", "0.9599", "0.9599", "0.9599", "1.516", "(4)", "1.523", "(3)", "1.522", "(3)", "0.9599", "sup-5" ]

[ [ 131.2, 74.2, 151.4, 83.2 ], [ 153.7, 74.2, 164.2, 83.2 ], [ 131.2, 87.4, 155.9, 96.4 ], [ 158.2, 87.4, 173.2, 96.4 ], [ 131.2, 100.6, 155.9, 109.6 ], [ 158.2, 100.6, 173.2, 109.6 ], [ 131.2, 113.8, 155.9, 122.8 ], [ 158.2, 113.8, 173.2, 122.8 ], [ 131.2, 127, 155.9, 136 ], [ 158.2, 127, 173.2, 136 ], [ 131.2, 140.2, 155.9, 149.2 ], [ 158.2, 140.2, 173.2, 149.2 ], [ 131.2, 153.4, 155.9, 162.4 ], [ 158.2, 153.4, 173.2, 162.4 ], [ 131.2, 166.6, 155.9, 175.6 ], [ 158.2, 166.6, 173.2, 175.6 ], [ 131.2, 179.8, 155.9, 188.8 ], [ 158.2, 179.8, 173.2, 188.8 ], [ 131.2, 193, 155.9, 202 ], [ 158.2, 193, 173.2, 202 ], [ 131.2, 206.2, 155.9, 215.2 ], [ 158.2, 206.2, 173.2, 215.2 ], [ 131.2, 219.4, 155.9, 228.4 ], [ 158.2, 219.4, 173.2, 228.4 ], [ 131.2, 232.6, 155.9, 241.6 ], [ 158.2, 232.6, 173.2, 241.6 ], [ 131.2, 245.8, 155.9, 254.8 ], [ 158.2, 245.8, 173.2, 254.8 ], [ 131.2, 259, 155.9, 268 ], [ 158.2, 259, 173.2, 268 ], [ 131.2, 272.2, 151.4, 281.2 ], [ 153.7, 272.2, 164.2, 281.2 ], [ 131.2, 285.4, 151.4, 294.4 ], [ 153.7, 285.4, 164.2, 294.4 ], [ 131.2, 298.6, 151.4, 307.6 ], [ 153.7, 298.6, 164.2, 307.6 ], [ 131.2, 311.8, 151.1, 320.8 ], [ 153.3, 311.8, 163.8, 320.8 ], [ 60, 343.8, 102.2, 353.8 ], [ 104.7, 343.8, 150.2, 353.8 ], [ 152.7, 343.8, 164.6, 353.8 ], [ 167.1, 343.8, 174.4, 353.8 ], [ 61.2, 74.2, 71.7, 83.2 ], [ 61.2, 87.4, 71.7, 96.4 ], [ 61.2, 100.6, 71.7, 109.6 ], [ 61.2, 113.8, 71.7, 122.8 ], [ 61.2, 127, 76.2, 136 ], [ 61.2, 140.2, 75.9, 149.2 ], [ 61.2, 153.4, 76.2, 162.4 ], [ 61.2, 166.6, 76.2, 175.6 ], [ 61.2, 179.8, 76.2, 188.8 ], [ 61.2, 193, 76.2, 202 ], [ 61.2, 206.2, 76.2, 215.2 ], [ 61.2, 219.4, 76.2, 228.4 ], [ 61.2, 232.6, 76.2, 241.6 ], [ 61.2, 245.8, 76.2, 254.8 ], [ 61.2, 259, 76.2, 268 ], [ 61.2, 272.2, 76.2, 281.2 ], [ 61.2, 285.4, 76.2, 294.4 ], [ 61.2, 298.6, 76.2, 307.6 ], [ 61.2, 311.8, 76.2, 320.8 ], [ 61.2, 362, 96.2, 371 ], [ 61.2, 375.2, 96.2, 384.2 ], [ 61.2, 388.4, 92.2, 397.4 ], [ 61.2, 401.6, 96.2, 410.6 ], [ 61.2, 414.8, 91.2, 423.8 ], [ 61.2, 428, 95.7, 437 ], [ 61.2, 441.2, 98.2, 450.2 ], [ 61.2, 454.4, 97.7, 463.4 ], [ 61.2, 467.6, 91.2, 476.6 ], [ 61.2, 480.8, 98.2, 489.8 ], [ 61.2, 494, 97.7, 503 ], [ 61.2, 507.2, 91.2, 516.2 ], [ 61.2, 520.4, 98.2, 529.4 ], [ 61.2, 533.6, 97.7, 542.6 ], [ 61.2, 546.8, 91.2, 555.8 ], [ 61.2, 560, 98.2, 569 ], [ 61.2, 573.2, 97.7, 582.2 ], [ 61.2, 586.4, 91.2, 595.4 ], [ 61.2, 599.6, 95.7, 608.6 ], [ 61.2, 612.8, 91.7, 621.8 ], [ 61.2, 626, 91.2, 635 ], [ 61.2, 639.2, 98.2, 648.2 ], [ 61.2, 652.4, 97.7, 661.4 ], [ 61.2, 665.6, 91.2, 674.6 ], [ 61.2, 678.8, 98.2, 687.8 ], [ 61.2, 692, 97.7, 701 ], [ 61.2, 705.2, 95.7, 714.2 ], [ 201.1, 74.2, 225.9, 83.2 ], [ 228.1, 74.2, 243.1, 83.2 ], [ 201.1, 87.4, 225.9, 96.4 ], [ 228.1, 87.4, 243.1, 96.4 ], [ 201.1, 100.6, 225.9, 109.6 ], [ 228.1, 100.6, 243.1, 109.6 ], [ 201.1, 113.8, 225.9, 122.8 ], [ 228.1, 113.8, 243.1, 122.8 ], [ 201.1, 127, 225.9, 136 ], [ 228.1, 127, 243.1, 136 ], [ 201.1, 140.2, 225.9, 149.2 ], [ 228.1, 140.2, 243.1, 149.2 ], [ 201.1, 153.4, 225.9, 162.4 ], [ 228.1, 153.4, 243.1, 162.4 ], [ 201.1, 166.6, 225.9, 175.6 ], [ 228.1, 166.6, 242.8, 175.6 ], [ 201.1, 179.8, 225.9, 188.8 ], [ 228.1, 179.8, 242.8, 188.8 ], [ 201.1, 193, 225.9, 202 ], [ 228.1, 193, 243.1, 202 ], [ 201.1, 206.2, 225.9, 215.2 ], [ 228.1, 206.2, 243.1, 215.2 ], [ 201.1, 219.4, 225.9, 228.4 ], [ 228.1, 219.4, 243.1, 228.4 ], [ 201.1, 232.6, 225.9, 241.6 ], [ 228.1, 232.6, 243.1, 241.6 ], [ 201.1, 245.8, 225.9, 254.8 ], [ 228.1, 245.8, 243.1, 254.8 ], [ 201.1, 259, 225.9, 268 ], [ 228.1, 259, 243.1, 268 ], [ 201.1, 272.2, 225.9, 281.2 ], [ 228.1, 272.2, 243.1, 281.2 ], [ 201.1, 285.4, 225.9, 294.4 ], [ 228.1, 285.4, 243.1, 294.4 ], [ 201.1, 298.6, 221.4, 307.6 ], [ 223.6, 298.6, 234.1, 307.6 ], [ 201.1, 311.8, 225.9, 320.8 ], [ 228.1, 311.8, 243.1, 320.8 ], [ 208.1, 362, 228.4, 371 ], [ 230.6, 362, 241.1, 371 ], [ 208.1, 375.2, 228.4, 384.2 ], [ 230.6, 375.2, 241.1, 384.2 ], [ 208.1, 388.4, 232.9, 397.4 ], [ 208.1, 401.6, 228.4, 410.6 ], [ 230.6, 401.6, 241.1, 410.6 ], [ 208.1, 414.8, 228.4, 423.8 ], [ 230.6, 414.8, 241.1, 423.8 ], [ 208.1, 428, 228.4, 437 ], [ 230.6, 428, 241.1, 437 ], [ 208.1, 441.2, 232.9, 450.2 ], [ 208.1, 454.4, 232.9, 463.4 ], [ 208.1, 467.6, 228.4, 476.6 ], [ 230.6, 467.6, 241.1, 476.6 ], [ 208.1, 480.8, 232.9, 489.8 ], [ 208.1, 494, 232.9, 503 ], [ 208.1, 507.2, 228.4, 516.2 ], [ 230.6, 507.2, 241.1, 516.2 ], [ 208.1, 520.4, 232.9, 529.4 ], [ 208.1, 533.6, 232.9, 542.6 ], [ 208.1, 546.8, 228.4, 555.8 ], [ 230.6, 546.8, 241.1, 555.8 ], [ 208.1, 560, 232.9, 569 ], [ 208.1, 573.2, 232.9, 582.2 ], [ 208.1, 586.4, 228.4, 595.4 ], [ 230.6, 586.4, 241.1, 595.4 ], [ 208.1, 599.6, 228.4, 608.6 ], [ 230.6, 599.6, 241.1, 608.6 ], [ 208.1, 612.8, 232.9, 621.8 ], [ 208.1, 626, 228.4, 635 ], [ 230.6, 626, 241.1, 635 ], [ 208.1, 639.2, 232.9, 648.2 ], [ 208.1, 652.4, 232.9, 661.4 ], [ 208.1, 665.6, 228.4, 674.6 ], [ 230.6, 665.6, 241.1, 674.6 ], [ 208.1, 678.8, 232.9, 687.8 ], [ 208.1, 692, 232.9, 701 ], [ 208.1, 705.2, 228.4, 714.2 ], [ 230.6, 705.2, 241.1, 714.2 ], [ 271.1, 74.2, 295.8, 83.2 ], [ 298.1, 74.2, 313.1, 83.2 ], [ 271.1, 87.4, 295.8, 96.4 ], [ 298.1, 87.4, 313.1, 96.4 ], [ 271.1, 100.6, 295.8, 109.6 ], [ 298.1, 100.6, 313.1, 109.6 ], [ 271.1, 113.8, 295.8, 122.8 ], [ 298.1, 113.8, 313.1, 122.8 ], [ 271.1, 127, 295.8, 136 ], [ 298.1, 127, 313.1, 136 ], [ 271.1, 140.2, 295.8, 149.2 ], [ 298.1, 140.2, 313.1, 149.2 ], [ 271.1, 153.4, 295.8, 162.4 ], [ 298.1, 153.4, 313.1, 162.4 ], [ 271.1, 166.6, 295.8, 175.6 ], [ 298.1, 166.6, 312.7, 175.6 ], [ 271.1, 179.8, 295.8, 188.8 ], [ 298.1, 179.8, 313.1, 188.8 ], [ 271.1, 193, 295.8, 202 ], [ 298.1, 193, 313.1, 202 ], [ 271.1, 206.2, 295.8, 215.2 ], [ 298.1, 206.2, 313.1, 215.2 ], [ 271.1, 219.4, 295.8, 228.4 ], [ 298.1, 219.4, 313.1, 228.4 ], [ 271.1, 232.6, 295.8, 241.6 ], [ 298.1, 232.6, 313.1, 241.6 ], [ 271.1, 245.8, 295.8, 254.8 ], [ 298.1, 245.8, 313.1, 254.8 ], [ 271.1, 259, 295.8, 268 ], [ 298.1, 259, 313.1, 268 ], [ 271.1, 272.2, 295.8, 281.2 ], [ 298.1, 272.2, 313.1, 281.2 ], [ 271.1, 285.4, 295.8, 294.4 ], [ 298.1, 285.4, 313.1, 294.4 ], [ 271.1, 298.6, 291.3, 307.6 ], [ 293.6, 298.6, 304.1, 307.6 ], [ 271.1, 311.8, 295.8, 320.8 ], [ 298.1, 311.8, 313.1, 320.8 ], [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 341, 74.2, 365.8, 83.2 ], [ 368, 74.2, 383, 83.2 ], [ 341, 87.4, 365.8, 96.4 ], [ 368, 87.4, 383, 96.4 ], [ 341, 100.6, 365.8, 109.6 ], [ 368, 100.6, 382.7, 109.6 ], [ 341, 113.8, 370.8, 122.8 ], [ 373.1, 113.8, 387.8, 122.8 ], [ 341, 127, 370.5, 136 ], [ 372.8, 127, 387.4, 136 ], [ 341, 140.2, 365.8, 149.2 ], [ 368, 140.2, 383, 149.2 ], [ 341, 153.4, 365.8, 162.4 ], [ 368, 153.4, 383, 162.4 ], [ 341, 166.6, 365.8, 175.6 ], [ 368, 166.6, 382.7, 175.6 ], [ 341, 179.8, 365.8, 188.8 ], [ 368, 179.8, 383, 188.8 ], [ 341, 193, 365.8, 202 ], [ 368, 193, 383, 202 ], [ 341, 206.2, 365.8, 215.2 ], [ 368, 206.2, 383, 215.2 ], [ 341, 219.4, 370.8, 228.4 ], [ 373.1, 219.4, 388.1, 228.4 ], [ 341, 232.6, 370.8, 241.6 ], [ 373.1, 232.6, 388.1, 241.6 ], [ 341, 245.8, 370.8, 254.8 ], [ 373.1, 245.8, 388.1, 254.8 ], [ 341, 259, 365.8, 268 ], [ 368, 259, 383, 268 ], [ 341, 272.2, 365.8, 281.2 ], [ 368, 272.2, 383, 281.2 ], [ 341, 285.4, 370.8, 294.4 ], [ 373.1, 285.4, 388.1, 294.4 ], [ 341, 298.6, 361.3, 307.6 ], [ 363.5, 298.6, 374, 307.6 ], [ 341, 311.8, 370.8, 320.8 ], [ 373.1, 311.8, 388.1, 320.8 ], [ 411, 74.2, 440.8, 83.2 ], [ 443.1, 74.2, 458, 83.2 ], [ 411, 87.4, 435.7, 96.4 ], [ 438, 87.4, 453, 96.4 ], [ 411, 100.6, 435.7, 109.6 ], [ 438, 100.6, 453, 109.6 ], [ 411, 113.8, 435.7, 122.8 ], [ 438, 113.8, 453, 122.8 ], [ 411, 127, 435.7, 136 ], [ 438, 127, 453, 136 ], [ 411, 140.2, 440.8, 149.2 ], [ 443.1, 140.2, 457.7, 149.2 ], [ 411, 153.4, 435.7, 162.4 ], [ 438, 153.4, 452.6, 162.4 ], [ 411, 166.6, 435.7, 175.6 ], [ 438, 166.6, 453, 175.6 ], [ 411, 179.8, 435.7, 188.8 ], [ 438, 179.8, 452.6, 188.8 ], [ 411, 193, 440.8, 202 ], [ 443.1, 193, 458, 202 ], [ 411, 206.2, 440.8, 215.2 ], [ 443.1, 206.2, 458, 215.2 ], [ 411, 219.4, 440.8, 228.4 ], [ 443.1, 219.4, 457.7, 228.4 ], [ 411, 232.6, 435.7, 241.6 ], [ 438, 232.6, 453, 241.6 ], [ 411, 245.8, 440.8, 254.8 ], [ 443.1, 245.8, 458, 254.8 ], [ 411, 259, 435.7, 268 ], [ 438, 259, 453, 268 ], [ 411, 272.2, 435.7, 281.2 ], [ 438, 272.2, 453, 281.2 ], [ 411, 285.4, 435.7, 294.4 ], [ 438, 285.4, 453, 294.4 ], [ 411, 298.6, 431.2, 307.6 ], [ 433.5, 298.6, 444, 307.6 ], [ 411, 311.8, 440.8, 320.8 ], [ 443.1, 311.8, 458, 320.8 ], [ 480.9, 74.2, 510.8, 83.2 ], [ 513, 74.2, 528, 83.2 ], [ 480.9, 87.4, 510.8, 96.4 ], [ 513, 87.4, 528, 96.4 ], [ 480.9, 100.6, 510.8, 109.6 ], [ 513, 100.6, 528, 109.6 ], [ 480.9, 113.8, 510.8, 122.8 ], [ 513, 113.8, 528, 122.8 ], [ 480.9, 127, 505.7, 136 ], [ 507.9, 127, 522.9, 136 ], [ 480.9, 140.2, 510.8, 149.2 ], [ 513, 140.2, 527.7, 149.2 ], [ 480.9, 153.4, 510.8, 162.4 ], [ 513, 153.4, 527.7, 162.4 ], [ 480.9, 166.6, 510.8, 175.6 ], [ 513, 166.6, 528, 175.6 ], [ 480.9, 179.8, 505.7, 188.8 ], [ 507.9, 179.8, 522.9, 188.8 ], [ 480.9, 193, 510.8, 202 ], [ 513, 193, 527.7, 202 ], [ 480.9, 206.2, 505.7, 215.2 ], [ 507.9, 206.2, 522.9, 215.2 ], [ 480.9, 219.4, 505.7, 228.4 ], [ 507.9, 219.4, 522.9, 228.4 ], [ 480.9, 232.6, 505.7, 241.6 ], [ 507.9, 232.6, 522.6, 241.6 ], [ 480.9, 245.8, 505.7, 254.8 ], [ 507.9, 245.8, 522.9, 254.8 ], [ 480.9, 259, 505.7, 268 ], [ 507.9, 259, 522.6, 268 ], [ 480.9, 272.2, 510.8, 281.2 ], [ 513, 272.2, 528, 281.2 ], [ 480.9, 285.4, 510.8, 294.4 ], [ 513, 285.4, 528, 294.4 ], [ 480.9, 298.6, 510.8, 307.6 ], [ 513, 298.6, 528, 307.6 ], [ 480.9, 311.8, 510.8, 320.8 ], [ 513, 311.8, 528, 320.8 ], [ 306, 362, 350.9, 371 ], [ 306, 375.2, 345, 384.2 ], [ 306, 388.4, 352, 397.4 ], [ 306, 401.6, 351.5, 410.6 ], [ 306, 414.8, 345, 423.8 ], [ 306, 428, 345, 437 ], [ 306, 441.2, 345, 450.2 ], [ 306, 454.4, 345, 463.4 ], [ 306, 467.6, 345.5, 476.6 ], [ 306, 480.8, 345, 489.8 ], [ 306, 494, 352, 503 ], [ 306, 507.2, 351.5, 516.2 ], [ 306, 520.4, 345, 529.4 ], [ 306, 533.6, 352, 542.6 ], [ 306, 546.8, 351.5, 555.8 ], [ 306, 560, 345, 569 ], [ 306, 573.2, 345.5, 582.2 ], [ 306, 586.4, 352, 595.4 ], [ 306, 599.6, 351.5, 608.6 ], [ 306, 612.8, 351.5, 621.8 ], [ 306, 626, 352, 635 ], [ 306, 639.2, 351.5, 648.2 ], [ 306, 652.4, 351.5, 661.4 ], [ 306, 665.6, 345, 674.6 ], [ 306, 678.8, 345, 687.8 ], [ 306, 692, 345, 701 ], [ 306, 705.2, 352, 714.2 ], [ 453, 362, 477.7, 371 ], [ 453, 375.2, 473.2, 384.2 ], [ 475.5, 375.2, 486, 384.2 ], [ 453, 388.4, 477.7, 397.4 ], [ 453, 401.6, 477.7, 410.6 ], [ 453, 414.8, 473.2, 423.8 ], [ 475.5, 414.8, 486, 423.8 ], [ 453, 428, 473.2, 437 ], [ 475.5, 428, 486, 437 ], [ 453, 441.2, 473.2, 450.2 ], [ 475.5, 441.2, 486, 450.2 ], [ 453, 454.4, 473.2, 463.4 ], [ 475.5, 454.4, 486, 463.4 ], [ 453, 467.6, 477.7, 476.6 ], [ 453, 480.8, 473.2, 489.8 ], [ 475.5, 480.8, 486, 489.8 ], [ 453, 494, 477.7, 503 ], [ 453, 507.2, 477.7, 516.2 ], [ 453, 520.4, 473.2, 529.4 ], [ 475.5, 520.4, 486, 529.4 ], [ 453, 533.6, 477.7, 542.6 ], [ 453, 546.8, 477.7, 555.8 ], [ 453, 560, 473.2, 569 ], [ 475.5, 560, 486, 569 ], [ 453, 573.2, 477.7, 582.2 ], [ 453, 586.4, 477.7, 595.4 ], [ 453, 599.6, 477.7, 608.6 ], [ 453, 612.8, 477.7, 621.8 ], [ 453, 626, 477.7, 635 ], [ 453, 639.2, 477.7, 648.2 ], [ 453, 652.4, 477.7, 661.4 ], [ 453, 665.6, 473.2, 674.6 ], [ 475.5, 665.6, 486, 674.6 ], [ 453, 678.8, 473.2, 687.8 ], [ 475.5, 678.8, 486, 687.8 ], [ 453, 692, 473.2, 701 ], [ 475.5, 692, 486, 701 ], [ 453, 705.2, 477.7, 714.2 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 0, 0, 0, 0, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 2, 2, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11 ]

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13 ]

[ 0, 0, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 10, 10, 11, 11, 12, 12, 13, 13, 14, 14, 15, 15, 16, 16, 17, 17, 18, 18, 19, 19, 19, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 66, 67, 67, 68, 68, 69, 69, 70, 70, 71, 71, 72, 72, 73, 73, 74, 74, 75, 75, 76, 76, 77, 77, 78, 78, 79, 79, 80, 80, 81, 81, 82, 82, 83, 83, 84, 84, 85, 85, 86, 86, 87, 88, 88, 89, 89, 90, 90, 91, 92, 93, 93, 94, 95, 96, 96, 97, 98, 99, 99, 100, 101, 102, 102, 103, 103, 104, 105, 105, 106, 107, 108, 108, 109, 110, 111, 111, 112, 112, 113, 113, 114, 114, 115, 115, 116, 116, 117, 117, 118, 118, 119, 119, 120, 120, 121, 121, 122, 122, 123, 123, 124, 124, 125, 125, 126, 126, 127, 127, 128, 128, 129, 129, 130, 130, 131, 131, 132, 132, 133, 133, 134, 134, 135, 135, 136, 136, 137, 137, 138, 138, 139, 139, 140, 140, 141, 141, 142, 142, 143, 143, 144, 144, 145, 145, 146, 146, 147, 147, 148, 148, 149, 149, 150, 150, 151, 151, 152, 152, 153, 153, 154, 154, 155, 155, 156, 156, 157, 157, 158, 158, 159, 159, 160, 160, 161, 161, 162, 162, 163, 163, 164, 164, 165, 165, 166, 166, 167, 167, 168, 168, 169, 169, 170, 170, 171, 171, 172, 172, 173, 173, 174, 174, 175, 175, 176, 176, 177, 177, 178, 178, 179, 179, 180, 180, 181, 181, 182, 182, 183, 183, 184, 184, 185, 185, 186, 186, 187, 187, 188, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 217, 218, 219, 220, 220, 221, 221, 222, 222, 223, 223, 224, 225, 225, 226, 227, 228, 228, 229, 230, 231, 231, 232, 233, 234, 235, 236, 237, 238, 239, 239, 240, 240, 241, 241, 242, 243 ]

[ "supplementary", "materials" ]

[ [ 60, 273.6, 188.4, 293.6 ], [ 194, 273.6, 274, 293.6 ] ]

[ 0, 0 ]

[ 0, 0 ]

[ 0, 0 ]

[ "supplementary", "materials", "Fig.", "1", "sup-10" ]

[ [ 60, 37.4, 162.8, 53.4 ], [ 167.2, 37.4, 231.2, 53.4 ], [ 60, 93, 75.4, 103 ], [ 78.2, 93, 83.8, 103 ], [ 60, 744.4, 95.4, 756.4 ] ]

[ 2, 2, 2, 2, 11 ]

[ 0, 0, 0, 0, 1 ]

[ 0, 0, 1, 1, 2 ]

[ "C6—N1—Nd1", "C1—N2—C5", "C1—N2—Nd1", "C5—N2—Nd1", "C13—N3—C17", "C13—N3—Nd1", "C17—N3—Nd1", "C24—N4—C18", "C24—N4—Nd1", "C18—N4—Nd1", "O11—N5—O9", "O11—N5—O10", "O9—N5—O10", "N2—C1—C2", "N2—C1—H1", "C2—C1—H1", "C3—C2—C1", "C3—C2—H2", "C1—C2—H2", "C2—C3—C4", "C2—C3—H3", "C4—C3—H3", "C3—C4—C5", "C3—C4—C9", "C5—C4—C9", "N2—C5—C4", "N2—C5—C6", "C4—C5—C6", "Hydrogen-bond", "geometry", "(Å,", "°)", "D—H···A", "O3—H31···O1", "O4—H27···O2", "O7—H34···O6", "O8—H38···O5", "D—H", "0.82", "0.82", "0.82", "0.82", "120.16", "(16)", "117.3", "(2)", "121.25", "(17)", "121.03", "(16)", "117.7", "(2)", "122.11", "(18)", "119.16", "(15)", "117.7", "(2)", "121.24", "(17)", "120.79", "(16)", "122.4", "(3)", "121.1", "(3)", "116.6", "(2)", "123.3", "(3)", "118.3", "118.3", "119.5", "(3)", "120.3", "120.3", "119.9", "(3)", "120.0", "120.0", "117.5", "(3)", "123.4", "(3)", "119.1", "(3)", "122.5", "(3)", "118.2", "(2)", "119.2", "(2)", "O3—C31—C30", "O3—C31—C26", "C30—C31—C26", "O6—C32—O5", "O6—C32—C33", "O5—C32—C33", "O6—C32—Nd1", "O5—C32—Nd1", "C33—C32—Nd1", "C38—C33—C34", "C38—C33—C32", "C34—C33—C32", "O7—C34—C35", "O7—C34—C33", "C35—C34—C33", "C36—C35—C34", "C36—C35—H35", "C34—C35—H35", "C37—C36—C35", "C37—C36—H36", "C35—C36—H36", "C36—C37—C38", "C36—C37—H37", "C38—C37—H37", "O8—C38—C37", "O8—C38—C33", "C37—C38—C33", "H···A", "1.86", "1.87", "1.87", "1.83", "supplementary", "materials", "117.5", "(3)", "122.3", "(2)", "120.1", "(3)", "120.1", "(2)", "120.3", "(2)", "119.6", "(2)", "60.87", "(13)", "60.78", "(14)", "165.83", "(17)", "118.4", "(2)", "121.1", "(3)", "120.4", "(2)", "116.9", "(3)", "122.9", "(2)", "120.2", "(3)", "118.7", "(3)", "120.7", "120.7", "123.0", "(3)", "118.5", "118.5", "118.7", "(3)", "120.7", "120.7", "117.9", "(3)", "121.3", "(3)", "120.9", "(3)", "D···A", "2.581", "(2)", "2.582", "(3)", "2.592", "(2)", "2.562", "(3)", "D—H···A", "147", "145", "146", "148", "sup-9" ]

[ [ 61.2, 74.2, 116.2, 83.2 ], [ 61.2, 87.4, 111.2, 96.4 ], [ 61.2, 100.6, 116.2, 109.6 ], [ 61.2, 113.8, 116.2, 122.8 ], [ 61.2, 127, 120.2, 136 ], [ 61.2, 140.2, 120.7, 149.2 ], [ 61.2, 153.4, 120.7, 162.4 ], [ 61.2, 166.6, 120.2, 175.6 ], [ 61.2, 179.8, 120.7, 188.8 ], [ 61.2, 193, 120.7, 202 ], [ 61.2, 206.2, 116.4, 215.2 ], [ 61.2, 219.4, 120.9, 228.4 ], [ 61.2, 232.6, 116.7, 241.6 ], [ 61.2, 245.8, 111.2, 254.8 ], [ 61.2, 259, 111.7, 268 ], [ 61.2, 272.2, 111.2, 281.2 ], [ 61.2, 285.4, 110.7, 294.4 ], [ 61.2, 298.6, 111.2, 307.6 ], [ 61.2, 311.8, 111.2, 320.8 ], [ 61.2, 325, 110.7, 334 ], [ 61.2, 338.2, 111.2, 347.2 ], [ 61.2, 351.4, 111.2, 360.4 ], [ 61.2, 364.6, 110.7, 373.6 ], [ 61.2, 377.8, 110.7, 386.8 ], [ 61.2, 391, 110.7, 400 ], [ 61.2, 404.2, 111.2, 413.2 ], [ 61.2, 417.4, 111.2, 426.4 ], [ 61.2, 430.6, 110.7, 439.6 ], [ 60, 462.6, 122.9, 472.6 ], [ 125.4, 462.6, 162.6, 472.6 ], [ 165.1, 462.6, 177, 472.6 ], [ 179.5, 462.6, 186.8, 472.6 ], [ 61.2, 480.7, 95.4, 489.8 ], [ 61.2, 494, 114.4, 503 ], [ 61.2, 507.2, 114.4, 516.2 ], [ 61.2, 520.4, 114.4, 529.4 ], [ 61.2, 533.6, 114.4, 542.6 ], [ 257.1, 480.7, 279.1, 489.8 ], [ 257.1, 494, 272.8, 503 ], [ 257.1, 507.2, 272.8, 516.2 ], [ 257.1, 520.4, 272.8, 529.4 ], [ 257.1, 533.6, 272.8, 542.6 ], [ 208.1, 74.2, 232.9, 83.2 ], [ 235.1, 74.2, 250.1, 83.2 ], [ 208.1, 87.4, 228, 96.4 ], [ 230.3, 87.4, 240.8, 96.4 ], [ 208.1, 100.6, 232.9, 109.6 ], [ 235.1, 100.6, 250.1, 109.6 ], [ 208.1, 113.8, 232.9, 122.8 ], [ 235.1, 113.8, 250.1, 122.8 ], [ 208.1, 127, 228, 136 ], [ 230.3, 127, 240.8, 136 ], [ 208.1, 140.2, 232.5, 149.2 ], [ 234.8, 140.2, 249.8, 149.2 ], [ 208.1, 153.4, 232.5, 162.4 ], [ 234.8, 153.4, 249.8, 162.4 ], [ 208.1, 166.6, 228, 175.6 ], [ 230.3, 166.6, 240.8, 175.6 ], [ 208.1, 179.8, 232.9, 188.8 ], [ 235.1, 179.8, 250.1, 188.8 ], [ 208.1, 193, 232.9, 202 ], [ 235.1, 193, 250.1, 202 ], [ 208.1, 206.2, 228.4, 215.2 ], [ 230.6, 206.2, 241.1, 215.2 ], [ 208.1, 219.4, 228.4, 228.4 ], [ 230.6, 219.4, 241.1, 228.4 ], [ 208.1, 232.6, 228, 241.6 ], [ 230.3, 232.6, 240.8, 241.6 ], [ 208.1, 245.8, 228.4, 254.8 ], [ 230.6, 245.8, 241.1, 254.8 ], [ 208.1, 259, 228, 268 ], [ 208.1, 272.2, 228, 281.2 ], [ 208.1, 285.4, 228, 294.4 ], [ 230.3, 285.4, 240.8, 294.4 ], [ 208.1, 298.6, 228.4, 307.6 ], [ 208.1, 311.8, 228.4, 320.8 ], [ 208.1, 325, 228, 334 ], [ 230.3, 325, 240.8, 334 ], [ 208.1, 338.2, 228.4, 347.2 ], [ 208.1, 351.4, 228.4, 360.4 ], [ 208.1, 364.6, 228, 373.6 ], [ 230.3, 364.6, 240.8, 373.6 ], [ 208.1, 377.8, 228.4, 386.8 ], [ 230.6, 377.8, 241.1, 386.8 ], [ 208.1, 391, 228, 400 ], [ 230.3, 391, 240.8, 400 ], [ 208.1, 404.2, 228.4, 413.2 ], [ 230.6, 404.2, 241.1, 413.2 ], [ 208.1, 417.4, 228, 426.4 ], [ 230.3, 417.4, 240.8, 426.4 ], [ 208.1, 430.6, 228, 439.6 ], [ 230.3, 430.6, 240.8, 439.6 ], [ 306, 74.2, 365, 83.2 ], [ 306, 87.4, 365, 96.4 ], [ 306, 100.6, 369, 109.6 ], [ 306, 113.8, 361, 122.8 ], [ 306, 127, 365, 136 ], [ 306, 140.2, 365, 149.2 ], [ 306, 153.4, 365.5, 162.4 ], [ 306, 166.6, 365.5, 175.6 ], [ 306, 179.8, 369.5, 188.8 ], [ 306, 193, 369, 202 ], [ 306, 206.2, 369, 215.2 ], [ 306, 219.4, 369, 228.4 ], [ 306, 232.6, 365, 241.6 ], [ 306, 245.8, 365, 254.8 ], [ 306, 259, 369, 268 ], [ 306, 272.2, 369, 281.2 ], [ 306, 285.4, 369.5, 294.4 ], [ 306, 298.6, 369.5, 307.6 ], [ 306, 311.8, 369, 320.8 ], [ 306, 325, 369.5, 334 ], [ 306, 338.2, 369.5, 347.2 ], [ 306, 351.4, 369, 360.4 ], [ 306, 364.6, 369.5, 373.6 ], [ 306, 377.8, 369.5, 386.8 ], [ 306, 391, 365, 400 ], [ 306, 404.2, 365, 413.2 ], [ 306, 417.4, 369, 426.4 ], [ 330.5, 480.7, 349.3, 489.8 ], [ 330.5, 494, 346.3, 503 ], [ 330.5, 507.2, 346.3, 516.2 ], [ 330.5, 520.4, 346.3, 529.4 ], [ 330.5, 533.6, 346.3, 542.6 ], [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 453, 74.2, 472.9, 83.2 ], [ 475.1, 74.2, 485.6, 83.2 ], [ 453, 87.4, 473.2, 96.4 ], [ 475.5, 87.4, 486, 96.4 ], [ 453, 100.6, 473.2, 109.6 ], [ 475.5, 100.6, 486, 109.6 ], [ 453, 113.8, 473.2, 122.8 ], [ 475.5, 113.8, 486, 122.8 ], [ 453, 127, 473.2, 136 ], [ 475.5, 127, 486, 136 ], [ 453, 140.2, 472.9, 149.2 ], [ 475.1, 140.2, 485.6, 149.2 ], [ 453, 153.4, 473.2, 162.4 ], [ 475.5, 153.4, 490.5, 162.4 ], [ 453, 166.6, 473.2, 175.6 ], [ 475.5, 166.6, 490.5, 175.6 ], [ 453, 179.8, 477.7, 188.8 ], [ 480, 179.8, 495, 188.8 ], [ 453, 193, 472.9, 202 ], [ 475.1, 193, 485.6, 202 ], [ 453, 206.2, 473.2, 215.2 ], [ 475.5, 206.2, 486, 215.2 ], [ 453, 219.4, 473.2, 228.4 ], [ 475.5, 219.4, 486, 228.4 ], [ 453, 232.6, 472.9, 241.6 ], [ 475.1, 232.6, 485.6, 241.6 ], [ 453, 245.8, 473.2, 254.8 ], [ 475.5, 245.8, 486, 254.8 ], [ 453, 259, 473.2, 268 ], [ 475.5, 259, 486, 268 ], [ 453, 272.2, 472.9, 281.2 ], [ 475.1, 272.2, 485.6, 281.2 ], [ 453, 285.4, 473.2, 294.4 ], [ 453, 298.6, 473.2, 307.6 ], [ 453, 311.8, 473.2, 320.8 ], [ 475.5, 311.8, 486, 320.8 ], [ 453, 325, 472.9, 334 ], [ 453, 338.2, 472.9, 347.2 ], [ 453, 351.4, 472.9, 360.4 ], [ 475.1, 351.4, 485.6, 360.4 ], [ 453, 364.6, 473.2, 373.6 ], [ 453, 377.8, 473.2, 386.8 ], [ 453, 391, 472.9, 400 ], [ 475.1, 391, 485.6, 400 ], [ 453, 404.2, 473.2, 413.2 ], [ 475.5, 404.2, 486, 413.2 ], [ 453, 417.4, 473.2, 426.4 ], [ 475.5, 417.4, 486, 426.4 ], [ 404, 480.7, 422.7, 489.8 ], [ 404, 494, 424.2, 503 ], [ 426.5, 494, 437, 503 ], [ 404, 507.2, 424.2, 516.2 ], [ 426.5, 507.2, 437, 516.2 ], [ 404, 520.4, 424.2, 529.4 ], [ 426.5, 520.4, 437, 529.4 ], [ 404, 533.6, 424.2, 542.6 ], [ 426.5, 533.6, 437, 542.6 ], [ 477.4, 480.7, 511.7, 489.8 ], [ 477.4, 494, 490.9, 503 ], [ 477.4, 507.2, 490.9, 516.2 ], [ 477.4, 520.4, 490.9, 529.4 ], [ 477.4, 533.6, 490.9, 542.6 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 2, 2, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11 ]

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 11 ]

[ 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 28, 28, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 39, 40, 40, 41, 41, 42, 42, 43, 43, 44, 44, 45, 45, 46, 46, 47, 47, 48, 48, 49, 49, 50, 50, 51, 51, 52, 52, 53, 54, 55, 55, 56, 57, 58, 58, 59, 60, 61, 61, 62, 62, 63, 63, 64, 64, 65, 65, 66, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 99, 100, 100, 101, 101, 102, 102, 103, 103, 104, 104, 105, 105, 106, 106, 107, 107, 108, 108, 109, 109, 110, 110, 111, 111, 112, 112, 113, 113, 114, 114, 115, 115, 116, 117, 118, 118, 119, 120, 121, 121, 122, 123, 124, 124, 125, 125, 126, 126, 127, 128, 128, 129, 129, 130, 130, 131, 131, 132, 133, 134, 135, 136, 137 ]

[ "metal-organic", "compounds", "Ma,", "P.,", "Huang,", "M.-L.", "&", "Chen,", "K.-H.", "(2010).", "Acta", "Cryst.", "E66,", "m833.", "Oxford", "Diffraction", "(2006).", "CrysAlis", "PRO.", "Oxford", "Diffraction", "Ltd,", "Abingdon,", "England.", "Sa,", "G.", "F.", "de,", "Malta,", "O.", "L.,", "Donega,", "C.", "D.,", "Simas,", "A.", "M.,", "Longo,", "R.", "L.,", "Santa-", "Cruz,", "P.", "A.", "&", "da", "Silva,", "E.", "F.", "(2000).", "Coord.", "Chem.", "Rev.", "196,", "165–195.", "Sheldrick,", "G.", "M.", "(2008).", "Acta", "Cryst.", "A64,", "112–122.", "Yang,", "Q.,", "Nie,", "J.-J.", "&", "Xu,", "D.-J.", "(2008).", "Acta", "Cryst.", "E64,", "m757.", "m1470", "Zheng", "et", "al.", "[Nd(C7H5O4)2(NO3)(C12H8N2)2]", "Acta", "Cryst.", "(2010).", "E66,", "m1469–m1470" ]

[ [ 44.8, 35.9, 140.9, 51.8 ], [ 146.2, 35.9, 226.2, 51.8 ], [ 44.8, 70.9, 57.4, 78.9 ], [ 59.7, 70.9, 66.8, 78.9 ], [ 69.2, 70.9, 92.8, 78.9 ], [ 95.1, 70.9, 113.2, 78.9 ], [ 115.6, 70.9, 121.7, 78.9 ], [ 124.1, 70.9, 143.3, 78.9 ], [ 145.6, 70.9, 163.7, 78.9 ], [ 166.1, 70.9, 188.6, 78.9 ], [ 190.9, 70.8, 205.9, 78.8 ], [ 208.2, 70.8, 227, 78.8 ], [ 229.3, 70.9, 243.9, 78.9 ], [ 246.3, 70.9, 265.5, 78.9 ], [ 44.8, 79.9, 68.4, 87.9 ], [ 70.3, 79.9, 106.3, 87.9 ], [ 108.2, 79.9, 130.8, 87.9 ], [ 132.7, 79.8, 160.4, 87.8 ], [ 162.4, 79.8, 180.6, 87.9 ], [ 182.6, 79.9, 206.1, 87.9 ], [ 208.1, 79.9, 244, 87.9 ], [ 246, 79.9, 259.4, 87.9 ], [ 261.4, 79.9, 295.9, 87.9 ], [ 52.8, 88.8, 81.9, 96.8 ], [ 313.8, 70.9, 323.5, 78.9 ], [ 326, 70.9, 333.4, 78.9 ], [ 335.9, 70.9, 341.4, 78.9 ], [ 344, 70.9, 353.4, 78.9 ], [ 355.9, 70.9, 376.7, 78.9 ], [ 379.2, 70.9, 386.5, 78.9 ], [ 389, 70.9, 397.7, 78.9 ], [ 400.2, 70.9, 427.6, 78.9 ], [ 430.1, 70.9, 437.1, 78.9 ], [ 439.5, 70.9, 448.7, 78.9 ], [ 451.2, 70.9, 471.6, 78.9 ], [ 474.1, 70.9, 482.2, 78.9 ], [ 484.7, 70.9, 495.3, 78.9 ], [ 497.8, 70.9, 520.5, 78.9 ], [ 522.9, 70.9, 530.6, 78.9 ], [ 533.1, 70.9, 541.7, 78.9 ], [ 544.2, 70.9, 564.9, 78.9 ], [ 321.8, 79.9, 339.3, 87.9 ], [ 341.6, 79.9, 346.9, 87.9 ], [ 349.3, 79.9, 357.3, 87.9 ], [ 359.7, 79.9, 365.8, 87.9 ], [ 368.2, 79.9, 376.1, 87.9 ], [ 378.4, 79.9, 396, 87.9 ], [ 398.4, 79.9, 405.5, 87.9 ], [ 407.9, 79.9, 413.5, 87.9 ], [ 415.8, 79.9, 438.4, 87.9 ], [ 440.7, 79.8, 463.2, 87.8 ], [ 465.6, 79.8, 486.3, 87.8 ], [ 488.6, 79.8, 502.8, 87.8 ], [ 505.2, 79.9, 518.2, 87.9 ], [ 520.6, 79.9, 548.5, 87.9 ], [ 313.8, 88.8, 346.3, 96.8 ], [ 348.7, 88.8, 356, 96.8 ], [ 358.4, 88.8, 367.2, 96.8 ], [ 369.6, 88.8, 392.1, 96.8 ], [ 394.5, 88.8, 409.5, 96.7 ], [ 411.8, 88.8, 430.6, 96.7 ], [ 432.9, 88.8, 448.4, 96.8 ], [ 450.8, 88.8, 478.7, 96.8 ], [ 313.8, 97.8, 332.3, 105.8 ], [ 334.7, 97.8, 344.2, 105.8 ], [ 346.6, 97.8, 359.7, 105.8 ], [ 362.2, 97.8, 373.6, 105.8 ], [ 375.9, 97.8, 382.1, 105.8 ], [ 384.5, 97.8, 396.3, 105.8 ], [ 398.6, 97.8, 413, 105.8 ], [ 415.3, 97.8, 437.9, 105.8 ], [ 440.2, 97.7, 455.1, 105.7 ], [ 457.5, 97.7, 476.2, 105.7 ], [ 478.7, 97.8, 493.2, 105.8 ], [ 495.6, 97.8, 514.8, 105.8 ], [ 44.8, 762.1, 81.1, 774.1 ], [ 93, 764.9, 114.4, 772.9 ], [ 117.1, 764.9, 123.3, 772.9 ], [ 125.9, 764.9, 134.4, 772.9 ], [ 147, 764.9, 256.5, 773.7 ], [ 426.8, 764.9, 442.4, 772.9 ], [ 445, 764.9, 464.5, 772.9 ], [ 467.1, 764.9, 491.6, 772.9 ], [ 494.2, 764.9, 509.4, 773.1 ], [ 512.1, 764.9, 564.9, 772.9 ] ]

[ 8, 8, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 11, 2, 2, 2, 8, 2, 2, 2, 2, 2 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 4, 4, 4, 5, 6, 6, 6, 6, 6 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 9, 9, 9, 10, 11, 11, 11, 11, 11 ]

[ "C34", "C35", "H35", "C36", "H36", "C37", "H37", "C38", "Nd1", "O1", "O2", "O3", "O4", "O5", "O6", "O7", "O8", "O9", "O10", "O11", "N1", "N2", "N3", "N4", "N5", "C1", "C2", "C3", "C4", "C5", "C6", "C7", "C8", "C9", "C10", "C11", "C12", "C13", "C14", "C15", "C16", "C17", "C18", "C19", "Atomic", "displacement", "parameters", "(Å2)", "0.5980", "(3)", "0.7421", "(3)", "0.7805", "0.8260", "(3)", "0.9222", "0.7746", "(3)", "0.8344", "0.6316", "(3)", "U11", "0.03283", "(8)", "0.0526", "(12)", "0.0568", "(13)", "0.0674", "(15)", "0.146", "(2)", "0.0407", "(12)", "0.0354", "(11)", "0.0435", "(12)", "0.0554", "(14)", "0.0530", "(12)", "0.0614", "(14)", "0.0840", "(18)", "0.0368", "(12)", "0.0473", "(14)", "0.0405", "(13)", "0.0402", "(13)", "0.0425", "(14)", "0.0560", "(19)", "0.075", "(2)", "0.076", "(2)", "0.0520", "(18)", "0.0423", "(16)", "0.0356", "(15)", "0.0352", "(15)", "0.0499", "(19)", "0.062", "(2)", "0.0322", "(16)", "0.0387", "(16)", "0.0457", "(17)", "0.0514", "(18)", "0.054", "(2)", "0.0391", "(17)", "0.0323", "(15)", "0.0333", "(15)", "0.0371", "(15)", "0.0492", "(18)", "supplementary", "materials", "0.69969", "(11)", "0.70261", "(13)", "0.7330", "0.65970", "(14)", "0.6618", "0.61407", "(14)", "0.5858", "0.61079", "(12)", "0.4303", "(2)", "0.4607", "(2)", "0.4588", "0.4937", "(2)", "0.5145", "0.4972", "(3)", "0.5195", "0.4670", "(2)", "0.0418", "(7)", "0.0510", "(8)", "0.061*", "0.0580", "(9)", "0.070*", "0.0584", "(8)", "0.070*", "0.0515", "(7)", "U22", "0.02688", "(8)", "0.0346", "(11)", "0.0393", "(11)", "0.0414", "(13)", "0.0402", "(13)", "0.0417", "(12)", "0.0367", "(11)", "0.0499", "(13)", "0.0518", "(14)", "0.0367", "(11)", "0.0442", "(13)", "0.128", "(2)", "0.0315", "(12)", "0.0268", "(12)", "0.0399", "(14)", "0.0298", "(12)", "0.0634", "(18)", "0.0344", "(17)", "0.0324", "(18)", "0.0260", "(16)", "0.0300", "(16)", "0.0284", "(15)", "0.0348", "(16)", "0.0464", "(18)", "0.055", "(2)", "0.0365", "(17)", "0.073", "(2)", "0.055", "(2)", "0.0394", "(17)", "0.0438", "(18)", "0.061", "(2)", "0.091", "(3)", "0.065", "(2)", "0.0470", "(17)", "0.0378", "(16)", "0.0476", "(18)", "U33", "0.03861", "(8)", "0.0431", "(11)", "0.0430", "(11)", "0.0479", "(12)", "0.0605", "(14)", "0.0685", "(13)", "0.0588", "(12)", "0.0683", "(14)", "0.1003", "(18)", "0.0562", "(12)", "0.0665", "(13)", "0.0584", "(14)", "0.0400", "(12)", "0.0439", "(14)", "0.0403", "(12)", "0.0427", "(12)", "0.0385", "(14)", "0.0525", "(18)", "0.077", "(2)", "0.078", "(2)", "0.0636", "(19)", "0.0494", "(17)", "0.0417", "(15)", "0.0456", "(17)", "0.0563", "(19)", "0.072", "(2)", "0.0395", "(16)", "0.0450", "(17)", "0.0452", "(17)", "0.0537", "(17)", "0.063", "(2)", "0.0480", "(18)", "0.0313", "(14)", "0.0308", "(14)", "0.0298", "(14)", "0.0329", "(15)", "U12", "0.00037", "(7)", "−0.0009", "(10)", "−0.0027", "(10)", "−0.0016", "(11)", "−0.0189", "(15)", "0.0049", "(10)", "0.0021", "(9)", "0.0004", "(10)", "0.0167", "(12)", "0.0017", "(10)", "0.0032", "(10)", "−0.0030", "(16)", "0.0019", "(11)", "0.0031", "(11)", "−0.0058", "(11)", "−0.0020", "(10)", "−0.0123", "(13)", "0.0059", "(15)", "0.0114", "(16)", "−0.0052", "(16)", "−0.0086", "(14)", "−0.0044", "(13)", "−0.0079", "(12)", "−0.0092", "(14)", "−0.0194", "(17)", "−0.0207", "(16)", "−0.0069", "(15)", "0.0062", "(15)", "0.0054", "(13)", "−0.0093", "(15)", "−0.0262", "(18)", "−0.0172", "(18)", "−0.0046", "(15)", "−0.0013", "(13)", "0.0040", "(13)", "0.0141", "(15)", "U13", "0.02331", "(7)", "0.0278", "(10)", "0.0314", "(10)", "0.0238", "(11)", "0.0625", "(16)", "0.0307", "(10)", "0.0282", "(10)", "0.0349", "(11)", "0.0408", "(14)", "0.0359", "(11)", "0.0467", "(12)", "0.0541", "(14)", "0.0253", "(11)", "0.0307", "(12)", "0.0282", "(11)", "0.0278", "(11)", "0.0253", "(12)", "0.0367", "(16)", "0.057", "(2)", "0.061", "(2)", "0.0464", "(17)", "0.0356", "(15)", "0.0293", "(13)", "0.0278", "(14)", "0.0352", "(17)", "0.0507", "(19)", "0.0194", "(14)", "0.0249", "(15)", "0.0301", "(15)", "0.0356", "(16)", "0.0391", "(18)", "0.0284", "(15)", "0.0192", "(13)", "0.0216", "(13)", "0.0216", "(12)", "0.0265", "(14)", "U23", "−0.00004", "(7)", "0.0030", "(10)", "−0.0018", "(10)", "−0.0069", "(11)", "−0.0032", "(12)", "0.0136", "(11)", "−0.0007", "(10)", "0.0067", "(11)", "0.0153", "(13)", "0.0040", "(10)", "−0.0047", "(11)", "0.0151", "(15)", "0.0013", "(11)", "0.0037", "(11)", "−0.0035", "(11)", "−0.0025", "(10)", "−0.0061", "(13)", "0.0062", "(14)", "0.0138", "(17)", "−0.0055", "(16)", "−0.0055", "(15)", "−0.0007", "(13)", "−0.0049", "(13)", "−0.0082", "(15)", "−0.0196", "(17)", "−0.0218", "(17)", "−0.0076", "(16)", "0.0064", "(15)", "0.0009", "(13)", "−0.0020", "(15)", "−0.0114", "(18)", "−0.0110", "(18)", "−0.0063", "(14)", "−0.0031", "(13)", "0.0002", "(12)", "0.0038", "(14)", "sup-5" ]

[ [ 61.2, 74.2, 76.2, 83.2 ], [ 61.2, 87.4, 76.2, 96.4 ], [ 61.2, 100.6, 76.7, 109.6 ], [ 61.2, 113.8, 76.2, 122.8 ], [ 61.2, 127, 76.7, 136 ], [ 61.2, 140.2, 76.2, 149.2 ], [ 61.2, 153.4, 76.7, 162.4 ], [ 61.2, 166.6, 76.2, 175.6 ], [ 61.2, 235.7, 76.7, 244.7 ], [ 61.2, 248.9, 72.2, 257.9 ], [ 61.2, 262.1, 72.2, 271.1 ], [ 61.2, 275.3, 72.2, 284.3 ], [ 61.2, 288.5, 72.2, 297.5 ], [ 61.2, 301.7, 72.2, 310.7 ], [ 61.2, 314.9, 72.2, 323.9 ], [ 61.2, 328.1, 72.2, 337.1 ], [ 61.2, 341.3, 72.2, 350.3 ], [ 61.2, 354.5, 72.2, 363.5 ], [ 61.2, 367.7, 76.7, 376.7 ], [ 61.2, 380.9, 76.4, 389.9 ], [ 61.2, 394.1, 72.2, 403.1 ], [ 61.2, 407.3, 72.2, 416.3 ], [ 61.2, 420.5, 72.2, 429.5 ], [ 61.2, 433.7, 72.2, 442.7 ], [ 61.2, 446.9, 72.2, 455.9 ], [ 61.2, 460.1, 71.7, 469.1 ], [ 61.2, 473.3, 71.7, 482.3 ], [ 61.2, 486.5, 71.7, 495.5 ], [ 61.2, 499.7, 71.7, 508.7 ], [ 61.2, 512.9, 71.7, 521.9 ], [ 61.2, 526.1, 71.7, 535.1 ], [ 61.2, 539.3, 71.7, 548.3 ], [ 61.2, 552.5, 71.7, 561.5 ], [ 61.2, 565.7, 71.7, 574.7 ], [ 61.2, 578.9, 76.2, 587.9 ], [ 61.2, 592.1, 75.9, 601.1 ], [ 61.2, 605.3, 76.2, 614.3 ], [ 61.2, 618.5, 76.2, 627.5 ], [ 61.2, 631.7, 76.2, 640.7 ], [ 61.2, 644.9, 76.2, 653.9 ], [ 61.2, 658.1, 76.2, 667.1 ], [ 61.2, 671.3, 76.2, 680.3 ], [ 61.2, 684.5, 76.2, 693.5 ], [ 61.2, 697.7, 76.2, 706.7 ], [ 60, 201.7, 88.3, 211.7 ], [ 90.8, 201.7, 143.5, 211.7 ], [ 146, 201.7, 191.5, 211.7 ], [ 194, 198.7, 210.9, 211.7 ], [ 142.8, 74.2, 167.6, 83.2 ], [ 169.8, 74.2, 180.3, 83.2 ], [ 142.8, 87.4, 167.6, 96.4 ], [ 169.8, 87.4, 180.3, 96.4 ], [ 142.8, 100.6, 167.6, 109.6 ], [ 142.8, 113.8, 167.6, 122.8 ], [ 169.8, 113.8, 180.3, 122.8 ], [ 142.8, 127, 167.6, 136 ], [ 142.8, 140.2, 167.6, 149.2 ], [ 169.8, 140.2, 180.3, 149.2 ], [ 142.8, 153.4, 167.6, 162.4 ], [ 142.8, 166.6, 167.6, 175.6 ], [ 169.8, 166.6, 180.3, 175.6 ], [ 131.2, 220, 144.3, 231.5 ], [ 131.2, 235.7, 160.4, 244.7 ], [ 162.7, 235.7, 173.2, 244.7 ], [ 131.2, 248.9, 155.9, 257.9 ], [ 158.2, 248.9, 173.2, 257.9 ], [ 131.2, 262.1, 155.9, 271.1 ], [ 158.2, 262.1, 173.2, 271.1 ], [ 131.2, 275.3, 155.9, 284.3 ], [ 158.2, 275.3, 173.2, 284.3 ], [ 131.2, 288.5, 151.4, 297.5 ], [ 153.7, 288.5, 164.2, 297.5 ], [ 131.2, 301.7, 155.9, 310.7 ], [ 158.2, 301.7, 173.2, 310.7 ], [ 131.2, 314.9, 155.9, 323.9 ], [ 158.2, 314.9, 172.8, 323.9 ], [ 131.2, 328.1, 155.9, 337.1 ], [ 158.2, 328.1, 173.2, 337.1 ], [ 131.2, 341.3, 155.9, 350.3 ], [ 158.2, 341.3, 173.2, 350.3 ], [ 131.2, 354.5, 155.9, 363.5 ], [ 158.2, 354.5, 173.2, 363.5 ], [ 131.2, 367.7, 155.9, 376.7 ], [ 158.2, 367.7, 173.2, 376.7 ], [ 131.2, 380.9, 155.9, 389.9 ], [ 158.2, 380.9, 173.2, 389.9 ], [ 131.2, 394.1, 155.9, 403.1 ], [ 158.2, 394.1, 173.2, 403.1 ], [ 131.2, 407.3, 155.9, 416.3 ], [ 158.2, 407.3, 173.2, 416.3 ], [ 131.2, 420.5, 155.9, 429.5 ], [ 158.2, 420.5, 173.2, 429.5 ], [ 131.2, 433.7, 155.9, 442.7 ], [ 158.2, 433.7, 173.2, 442.7 ], [ 131.2, 446.9, 155.9, 455.9 ], [ 158.2, 446.9, 173.2, 455.9 ], [ 131.2, 460.1, 155.9, 469.1 ], [ 158.2, 460.1, 173.2, 469.1 ], [ 131.2, 473.3, 151.4, 482.3 ], [ 153.7, 473.3, 164.2, 482.3 ], [ 131.2, 486.5, 151.4, 495.5 ], [ 153.7, 486.5, 164.2, 495.5 ], [ 131.2, 499.7, 155.9, 508.7 ], [ 158.2, 499.7, 173.2, 508.7 ], [ 131.2, 512.9, 155.9, 521.9 ], [ 158.2, 512.9, 173.2, 521.9 ], [ 131.2, 526.1, 155.9, 535.1 ], [ 158.2, 526.1, 173.2, 535.1 ], [ 131.2, 539.3, 155.9, 548.3 ], [ 158.2, 539.3, 173.2, 548.3 ], [ 131.2, 552.5, 155.9, 561.5 ], [ 158.2, 552.5, 173.2, 561.5 ], [ 131.2, 565.7, 151.4, 574.7 ], [ 153.7, 565.7, 164.2, 574.7 ], [ 131.2, 578.9, 155.9, 587.9 ], [ 158.2, 578.9, 173.2, 587.9 ], [ 131.2, 592.1, 155.9, 601.1 ], [ 158.2, 592.1, 173.2, 601.1 ], [ 131.2, 605.3, 155.9, 614.3 ], [ 158.2, 605.3, 173.2, 614.3 ], [ 131.2, 618.5, 155.9, 627.5 ], [ 158.2, 618.5, 173.2, 627.5 ], [ 131.2, 631.7, 151.4, 640.7 ], [ 153.7, 631.7, 164.2, 640.7 ], [ 131.2, 644.9, 155.9, 653.9 ], [ 158.2, 644.9, 173.2, 653.9 ], [ 131.2, 658.1, 155.9, 667.1 ], [ 158.2, 658.1, 173.2, 667.1 ], [ 131.2, 671.3, 155.9, 680.3 ], [ 158.2, 671.3, 173.2, 680.3 ], [ 131.2, 684.5, 155.9, 693.5 ], [ 158.2, 684.5, 173.2, 693.5 ], [ 131.2, 697.7, 155.9, 706.7 ], [ 158.2, 697.7, 173.2, 706.7 ], [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 224.4, 74.2, 253.7, 83.2 ], [ 255.9, 74.2, 270.6, 83.2 ], [ 224.4, 87.4, 253.7, 96.4 ], [ 255.9, 87.4, 270.9, 96.4 ], [ 224.4, 100.6, 249.2, 109.6 ], [ 224.4, 113.8, 253.7, 122.8 ], [ 255.9, 113.8, 270.9, 122.8 ], [ 224.4, 127, 249.2, 136 ], [ 224.4, 140.2, 253.7, 149.2 ], [ 255.9, 140.2, 270.9, 149.2 ], [ 224.4, 153.4, 249.2, 162.4 ], [ 224.4, 166.6, 253.7, 175.6 ], [ 255.9, 166.6, 270.9, 175.6 ], [ 306, 74.2, 330.8, 83.2 ], [ 333, 74.2, 343.5, 83.2 ], [ 306, 87.4, 330.8, 96.4 ], [ 333, 87.4, 343.5, 96.4 ], [ 306, 100.6, 330.8, 109.6 ], [ 306, 113.8, 330.8, 122.8 ], [ 333, 113.8, 343.5, 122.8 ], [ 306, 127, 330.8, 136 ], [ 306, 140.2, 330.8, 149.2 ], [ 333, 140.2, 343.5, 149.2 ], [ 306, 153.4, 330.8, 162.4 ], [ 306, 166.6, 330.8, 175.6 ], [ 333, 166.6, 343.5, 175.6 ], [ 387.7, 74.2, 412.4, 83.2 ], [ 414.7, 74.2, 425.2, 83.2 ], [ 387.7, 87.4, 412.4, 96.4 ], [ 414.7, 87.4, 425.2, 96.4 ], [ 387.7, 100.6, 412.4, 109.6 ], [ 387.7, 113.8, 412.4, 122.8 ], [ 414.7, 113.8, 425.2, 122.8 ], [ 387.7, 127, 412.4, 136 ], [ 387.7, 140.2, 412.4, 149.2 ], [ 414.7, 140.2, 425.2, 149.2 ], [ 387.7, 153.4, 412.4, 162.4 ], [ 387.7, 166.6, 412.4, 175.6 ], [ 414.7, 166.6, 425.2, 175.6 ], [ 201.1, 220, 214.6, 231.5 ], [ 201.1, 235.7, 230.4, 244.7 ], [ 232.6, 235.7, 243.1, 244.7 ], [ 201.1, 248.9, 225.9, 257.9 ], [ 228.1, 248.9, 242.8, 257.9 ], [ 201.1, 262.1, 225.9, 271.1 ], [ 228.1, 262.1, 242.8, 271.1 ], [ 201.1, 275.3, 225.9, 284.3 ], [ 228.1, 275.3, 243.1, 284.3 ], [ 201.1, 288.5, 225.9, 297.5 ], [ 228.1, 288.5, 243.1, 297.5 ], [ 201.1, 301.7, 225.9, 310.7 ], [ 228.1, 301.7, 243.1, 310.7 ], [ 201.1, 314.9, 225.9, 323.9 ], [ 228.1, 314.9, 242.8, 323.9 ], [ 201.1, 328.1, 225.9, 337.1 ], [ 228.1, 328.1, 243.1, 337.1 ], [ 201.1, 341.3, 225.9, 350.3 ], [ 228.1, 341.3, 243.1, 350.3 ], [ 201.1, 354.5, 225.9, 363.5 ], [ 228.1, 354.5, 242.8, 363.5 ], [ 201.1, 367.7, 225.9, 376.7 ], [ 228.1, 367.7, 243.1, 376.7 ], [ 201.1, 380.9, 221.4, 389.9 ], [ 223.6, 380.9, 234.1, 389.9 ], [ 201.1, 394.1, 225.9, 403.1 ], [ 228.1, 394.1, 243.1, 403.1 ], [ 201.1, 407.3, 225.9, 416.3 ], [ 228.1, 407.3, 243.1, 416.3 ], [ 201.1, 420.5, 225.9, 429.5 ], [ 228.1, 420.5, 243.1, 429.5 ], [ 201.1, 433.7, 225.9, 442.7 ], [ 228.1, 433.7, 243.1, 442.7 ], [ 201.1, 446.9, 225.9, 455.9 ], [ 228.1, 446.9, 243.1, 455.9 ], [ 201.1, 460.1, 225.9, 469.1 ], [ 228.1, 460.1, 243.1, 469.1 ], [ 201.1, 473.3, 225.9, 482.3 ], [ 228.1, 473.3, 243.1, 482.3 ], [ 201.1, 486.5, 225.9, 495.5 ], [ 228.1, 486.5, 243.1, 495.5 ], [ 201.1, 499.7, 225.9, 508.7 ], [ 228.1, 499.7, 243.1, 508.7 ], [ 201.1, 512.9, 225.9, 521.9 ], [ 228.1, 512.9, 243.1, 521.9 ], [ 201.1, 526.1, 225.9, 535.1 ], [ 228.1, 526.1, 243.1, 535.1 ], [ 201.1, 539.3, 225.9, 548.3 ], [ 228.1, 539.3, 243.1, 548.3 ], [ 201.1, 552.5, 221.4, 561.5 ], [ 223.6, 552.5, 234.1, 561.5 ], [ 201.1, 565.7, 225.9, 574.7 ], [ 228.1, 565.7, 243.1, 574.7 ], [ 201.1, 578.9, 221.4, 587.9 ], [ 223.6, 578.9, 234.1, 587.9 ], [ 201.1, 592.1, 221.4, 601.1 ], [ 223.6, 592.1, 234.1, 601.1 ], [ 201.1, 605.3, 225.9, 614.3 ], [ 228.1, 605.3, 243.1, 614.3 ], [ 201.1, 618.5, 225.9, 627.5 ], [ 228.1, 618.5, 243.1, 627.5 ], [ 201.1, 631.7, 221.4, 640.7 ], [ 223.6, 631.7, 234.1, 640.7 ], [ 201.1, 644.9, 221.4, 653.9 ], [ 223.6, 644.9, 234.1, 653.9 ], [ 201.1, 658.1, 221.4, 667.1 ], [ 223.6, 658.1, 234.1, 667.1 ], [ 201.1, 671.3, 225.9, 680.3 ], [ 228.1, 671.3, 243.1, 680.3 ], [ 201.1, 684.5, 225.9, 693.5 ], [ 228.1, 684.5, 243.1, 693.5 ], [ 201.1, 697.7, 225.9, 706.7 ], [ 228.1, 697.7, 243.1, 706.7 ], [ 271.1, 220, 284.5, 231.5 ], [ 271.1, 235.7, 300.3, 244.7 ], [ 302.6, 235.7, 313.1, 244.7 ], [ 271.1, 248.9, 295.8, 257.9 ], [ 298.1, 248.9, 312.7, 257.9 ], [ 271.1, 262.1, 295.8, 271.1 ], [ 298.1, 262.1, 312.7, 271.1 ], [ 271.1, 275.3, 295.8, 284.3 ], [ 298.1, 275.3, 313.1, 284.3 ], [ 271.1, 288.5, 295.8, 297.5 ], [ 298.1, 288.5, 313.1, 297.5 ], [ 271.1, 301.7, 295.8, 310.7 ], [ 298.1, 301.7, 313.1, 310.7 ], [ 271.1, 314.9, 295.8, 323.9 ], [ 298.1, 314.9, 313.1, 323.9 ], [ 271.1, 328.1, 295.8, 337.1 ], [ 298.1, 328.1, 313.1, 337.1 ], [ 271.1, 341.3, 295.8, 350.3 ], [ 298.1, 341.3, 313.1, 350.3 ], [ 271.1, 354.5, 295.8, 363.5 ], [ 298.1, 354.5, 313.1, 363.5 ], [ 271.1, 367.7, 295.8, 376.7 ], [ 298.1, 367.7, 313.1, 376.7 ], [ 271.1, 380.9, 295.8, 389.9 ], [ 298.1, 380.9, 313.1, 389.9 ], [ 271.1, 394.1, 295.8, 403.1 ], [ 298.1, 394.1, 313.1, 403.1 ], [ 271.1, 407.3, 295.8, 416.3 ], [ 298.1, 407.3, 313.1, 416.3 ], [ 271.1, 420.5, 295.8, 429.5 ], [ 298.1, 420.5, 313.1, 429.5 ], [ 271.1, 433.7, 295.8, 442.7 ], [ 298.1, 433.7, 313.1, 442.7 ], [ 271.1, 446.9, 295.8, 455.9 ], [ 298.1, 446.9, 313.1, 455.9 ], [ 271.1, 460.1, 295.8, 469.1 ], [ 298.1, 460.1, 313.1, 469.1 ], [ 271.1, 473.3, 291.3, 482.3 ], [ 293.6, 473.3, 304.1, 482.3 ], [ 271.1, 486.5, 291.3, 495.5 ], [ 293.6, 486.5, 304.1, 495.5 ], [ 271.1, 499.7, 295.8, 508.7 ], [ 298.1, 499.7, 313.1, 508.7 ], [ 271.1, 512.9, 295.8, 521.9 ], [ 298.1, 512.9, 313.1, 521.9 ], [ 271.1, 526.1, 295.8, 535.1 ], [ 298.1, 526.1, 313.1, 535.1 ], [ 271.1, 539.3, 295.8, 548.3 ], [ 298.1, 539.3, 313.1, 548.3 ], [ 271.1, 552.5, 295.8, 561.5 ], [ 298.1, 552.5, 313.1, 561.5 ], [ 271.1, 565.7, 291.3, 574.7 ], [ 293.6, 565.7, 304.1, 574.7 ], [ 271.1, 578.9, 295.8, 587.9 ], [ 298.1, 578.9, 313.1, 587.9 ], [ 271.1, 592.1, 295.8, 601.1 ], [ 298.1, 592.1, 313.1, 601.1 ], [ 271.1, 605.3, 295.8, 614.3 ], [ 298.1, 605.3, 313.1, 614.3 ], [ 271.1, 618.5, 295.8, 627.5 ], [ 298.1, 618.5, 313.1, 627.5 ], [ 271.1, 631.7, 291.3, 640.7 ], [ 293.6, 631.7, 304.1, 640.7 ], [ 271.1, 644.9, 295.8, 653.9 ], [ 298.1, 644.9, 313.1, 653.9 ], [ 271.1, 658.1, 295.8, 667.1 ], [ 298.1, 658.1, 313.1, 667.1 ], [ 271.1, 671.3, 295.8, 680.3 ], [ 298.1, 671.3, 313.1, 680.3 ], [ 271.1, 684.5, 295.8, 693.5 ], [ 298.1, 684.5, 313.1, 693.5 ], [ 271.1, 697.7, 295.8, 706.7 ], [ 298.1, 697.7, 313.1, 706.7 ], [ 341, 220, 354.5, 231.5 ], [ 341, 235.7, 370.3, 244.7 ], [ 372.5, 235.7, 383, 244.7 ], [ 341, 248.9, 370.8, 257.9 ], [ 373.1, 248.9, 388.1, 257.9 ], [ 341, 262.1, 370.8, 271.1 ], [ 373.1, 262.1, 388.1, 271.1 ], [ 341, 275.3, 370.8, 284.3 ], [ 373.1, 275.3, 387.8, 284.3 ], [ 341, 288.5, 370.8, 297.5 ], [ 373.1, 288.5, 388.1, 297.5 ], [ 341, 301.7, 365.8, 310.7 ], [ 368, 301.7, 383, 310.7 ], [ 341, 314.9, 365.8, 323.9 ], [ 368, 314.9, 378.5, 323.9 ], [ 341, 328.1, 365.8, 337.1 ], [ 368, 328.1, 383, 337.1 ], [ 341, 341.3, 365.8, 350.3 ], [ 368, 341.3, 383, 350.3 ], [ 341, 354.5, 365.8, 363.5 ], [ 368, 354.5, 383, 363.5 ], [ 341, 367.7, 365.8, 376.7 ], [ 368, 367.7, 383, 376.7 ], [ 341, 380.9, 370.8, 389.9 ], [ 373.1, 380.9, 388.1, 389.9 ], [ 341, 394.1, 365.8, 403.1 ], [ 368, 394.1, 382.7, 403.1 ], [ 341, 407.3, 365.8, 416.3 ], [ 368, 407.3, 382.7, 416.3 ], [ 341, 420.5, 370.8, 429.5 ], [ 373.1, 420.5, 387.8, 429.5 ], [ 341, 433.7, 370.8, 442.7 ], [ 373.1, 433.7, 388.1, 442.7 ], [ 341, 446.9, 370.8, 455.9 ], [ 373.1, 446.9, 388.1, 455.9 ], [ 341, 460.1, 365.8, 469.1 ], [ 368, 460.1, 383, 469.1 ], [ 341, 473.3, 365.4, 482.3 ], [ 367.7, 473.3, 382.7, 482.3 ], [ 341, 486.5, 370.8, 495.5 ], [ 373.1, 486.5, 388.1, 495.5 ], [ 341, 499.7, 370.8, 508.7 ], [ 373.1, 499.7, 388.1, 508.7 ], [ 341, 512.9, 370.8, 521.9 ], [ 373.1, 512.9, 388.1, 521.9 ], [ 341, 526.1, 370.8, 535.1 ], [ 373.1, 526.1, 388.1, 535.1 ], [ 341, 539.3, 370.8, 548.3 ], [ 373.1, 539.3, 388.1, 548.3 ], [ 341, 552.5, 370.8, 561.5 ], [ 373.1, 552.5, 388.1, 561.5 ], [ 341, 565.7, 370.8, 574.7 ], [ 373.1, 565.7, 388.1, 574.7 ], [ 341, 578.9, 370.8, 587.9 ], [ 373.1, 578.9, 388.1, 587.9 ], [ 341, 592.1, 365.8, 601.1 ], [ 368, 592.1, 383, 601.1 ], [ 341, 605.3, 365.8, 614.3 ], [ 368, 605.3, 383, 614.3 ], [ 341, 618.5, 370.8, 627.5 ], [ 373.1, 618.5, 388.1, 627.5 ], [ 341, 631.7, 370.8, 640.7 ], [ 373.1, 631.7, 388.1, 640.7 ], [ 341, 644.9, 370.8, 653.9 ], [ 373.1, 644.9, 388.1, 653.9 ], [ 341, 658.1, 370.8, 667.1 ], [ 373.1, 658.1, 388.1, 667.1 ], [ 341, 671.3, 370.8, 680.3 ], [ 373.1, 671.3, 388.1, 680.3 ], [ 341, 684.5, 365.8, 693.5 ], [ 368, 684.5, 383, 693.5 ], [ 341, 697.7, 365.8, 706.7 ], [ 368, 697.7, 383, 706.7 ], [ 411, 220, 424.4, 231.5 ], [ 411, 235.7, 440.2, 244.7 ], [ 442.5, 235.7, 453, 244.7 ], [ 411, 248.9, 435.7, 257.9 ], [ 438, 248.9, 453, 257.9 ], [ 411, 262.1, 435.7, 271.1 ], [ 438, 262.1, 453, 271.1 ], [ 411, 275.3, 435.7, 284.3 ], [ 438, 275.3, 452.6, 284.3 ], [ 411, 288.5, 435.7, 297.5 ], [ 438, 288.5, 453, 297.5 ], [ 411, 301.7, 435.7, 310.7 ], [ 438, 301.7, 453, 310.7 ], [ 411, 314.9, 435.7, 323.9 ], [ 438, 314.9, 453, 323.9 ], [ 411, 328.1, 435.7, 337.1 ], [ 438, 328.1, 452.6, 337.1 ], [ 411, 341.3, 435.7, 350.3 ], [ 438, 341.3, 453, 350.3 ], [ 411, 354.5, 435.7, 363.5 ], [ 438, 354.5, 452.6, 363.5 ], [ 411, 367.7, 435.7, 376.7 ], [ 438, 367.7, 453, 376.7 ], [ 411, 380.9, 435.7, 389.9 ], [ 438, 380.9, 453, 389.9 ], [ 411, 394.1, 435.7, 403.1 ], [ 438, 394.1, 452.6, 403.1 ], [ 411, 407.3, 435.7, 416.3 ], [ 438, 407.3, 453, 416.3 ], [ 411, 420.5, 435.7, 429.5 ], [ 438, 420.5, 452.6, 429.5 ], [ 411, 433.7, 435.7, 442.7 ], [ 438, 433.7, 452.6, 442.7 ], [ 411, 446.9, 435.7, 455.9 ], [ 438, 446.9, 453, 455.9 ], [ 411, 460.1, 435.7, 469.1 ], [ 438, 460.1, 453, 469.1 ], [ 411, 473.3, 431.2, 482.3 ], [ 433.5, 473.3, 444, 482.3 ], [ 411, 486.5, 431.2, 495.5 ], [ 433.5, 486.5, 444, 495.5 ], [ 411, 499.7, 435.7, 508.7 ], [ 438, 499.7, 453, 508.7 ], [ 411, 512.9, 435.7, 521.9 ], [ 438, 512.9, 453, 521.9 ], [ 411, 526.1, 435.7, 535.1 ], [ 438, 526.1, 453, 535.1 ], [ 411, 539.3, 435.7, 548.3 ], [ 438, 539.3, 453, 548.3 ], [ 411, 552.5, 435.7, 561.5 ], [ 438, 552.5, 453, 561.5 ], [ 411, 565.7, 435.7, 574.7 ], [ 438, 565.7, 453, 574.7 ], [ 411, 578.9, 435.7, 587.9 ], [ 438, 578.9, 453, 587.9 ], [ 411, 592.1, 435.7, 601.1 ], [ 438, 592.1, 453, 601.1 ], [ 411, 605.3, 435.7, 614.3 ], [ 438, 605.3, 453, 614.3 ], [ 411, 618.5, 435.7, 627.5 ], [ 438, 618.5, 453, 627.5 ], [ 411, 631.7, 435.7, 640.7 ], [ 438, 631.7, 453, 640.7 ], [ 411, 644.9, 435.7, 653.9 ], [ 438, 644.9, 453, 653.9 ], [ 411, 658.1, 435.7, 667.1 ], [ 438, 658.1, 453, 667.1 ], [ 411, 671.3, 435.7, 680.3 ], [ 438, 671.3, 453, 680.3 ], [ 411, 684.5, 435.7, 693.5 ], [ 438, 684.5, 453, 693.5 ], [ 411, 697.7, 435.7, 706.7 ], [ 438, 697.7, 453, 706.7 ], [ 480.9, 220, 494.4, 231.5 ], [ 480.9, 235.7, 515.3, 244.7 ], [ 517.5, 235.7, 528, 244.7 ], [ 480.9, 248.9, 505.7, 257.9 ], [ 507.9, 248.9, 522.9, 257.9 ], [ 480.9, 262.1, 510.8, 271.1 ], [ 513, 262.1, 528, 271.1 ], [ 480.9, 275.3, 510.8, 284.3 ], [ 513, 275.3, 527.7, 284.3 ], [ 480.9, 288.5, 510.8, 297.5 ], [ 513, 288.5, 528, 297.5 ], [ 480.9, 301.7, 505.7, 310.7 ], [ 507.9, 301.7, 522.6, 310.7 ], [ 480.9, 314.9, 510.8, 323.9 ], [ 513, 314.9, 528, 323.9 ], [ 480.9, 328.1, 505.7, 337.1 ], [ 507.9, 328.1, 522.6, 337.1 ], [ 480.9, 341.3, 505.7, 350.3 ], [ 507.9, 341.3, 522.9, 350.3 ], [ 480.9, 354.5, 505.7, 363.5 ], [ 507.9, 354.5, 522.9, 363.5 ], [ 480.9, 367.7, 510.8, 376.7 ], [ 513, 367.7, 527.7, 376.7 ], [ 480.9, 380.9, 505.7, 389.9 ], [ 507.9, 380.9, 522.9, 389.9 ], [ 480.9, 394.1, 505.7, 403.1 ], [ 507.9, 394.1, 522.6, 403.1 ], [ 480.9, 407.3, 505.7, 416.3 ], [ 507.9, 407.3, 522.6, 416.3 ], [ 480.9, 420.5, 510.8, 429.5 ], [ 513, 420.5, 527.7, 429.5 ], [ 480.9, 433.7, 510.8, 442.7 ], [ 513, 433.7, 528, 442.7 ], [ 480.9, 446.9, 510.8, 455.9 ], [ 513, 446.9, 528, 455.9 ], [ 480.9, 460.1, 505.7, 469.1 ], [ 507.9, 460.1, 522.9, 469.1 ], [ 480.9, 473.3, 505.7, 482.3 ], [ 507.9, 473.3, 522.9, 482.3 ], [ 480.9, 486.5, 510.8, 495.5 ], [ 513, 486.5, 528, 495.5 ], [ 480.9, 499.7, 510.8, 508.7 ], [ 513, 499.7, 528, 508.7 ], [ 480.9, 512.9, 510.8, 521.9 ], [ 513, 512.9, 528, 521.9 ], [ 480.9, 526.1, 510.8, 535.1 ], [ 513, 526.1, 528, 535.1 ], [ 480.9, 539.3, 510.8, 548.3 ], [ 513, 539.3, 528, 548.3 ], [ 480.9, 552.5, 510.8, 561.5 ], [ 513, 552.5, 528, 561.5 ], [ 480.9, 565.7, 510.8, 574.7 ], [ 513, 565.7, 528, 574.7 ], [ 480.9, 578.9, 510.8, 587.9 ], [ 513, 578.9, 528, 587.9 ], [ 480.9, 592.1, 505.7, 601.1 ], [ 507.9, 592.1, 522.9, 601.1 ], [ 480.9, 605.3, 505.7, 614.3 ], [ 507.9, 605.3, 522.9, 614.3 ], [ 480.9, 618.5, 510.8, 627.5 ], [ 513, 618.5, 528, 627.5 ], [ 480.9, 631.7, 510.4, 640.7 ], [ 512.7, 631.7, 527.7, 640.7 ], [ 480.9, 644.9, 510.4, 653.9 ], [ 512.7, 644.9, 527.7, 653.9 ], [ 480.9, 658.1, 510.8, 667.1 ], [ 513, 658.1, 528, 667.1 ], [ 480.9, 671.3, 510.8, 680.3 ], [ 513, 671.3, 528, 680.3 ], [ 480.9, 684.5, 505.7, 693.5 ], [ 507.9, 684.5, 522.9, 693.5 ], [ 480.9, 697.7, 505.7, 706.7 ], [ 507.9, 697.7, 522.9, 706.7 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 0, 0, 0, 0, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 2, 2, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11 ]

[ 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 14 ]

[ 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 44, 44, 44, 45, 45, 46, 46, 47, 48, 48, 49, 50, 50, 51, 52, 52, 53, 54, 54, 55, 55, 56, 56, 57, 57, 58, 58, 59, 59, 60, 60, 61, 61, 62, 62, 63, 63, 64, 64, 65, 65, 66, 66, 67, 67, 68, 68, 69, 69, 70, 70, 71, 71, 72, 72, 73, 73, 74, 74, 75, 75, 76, 76, 77, 77, 78, 78, 79, 79, 80, 80, 81, 81, 82, 82, 83, 83, 84, 84, 85, 85, 86, 86, 87, 87, 88, 88, 89, 89, 90, 90, 91, 91, 92, 92, 93, 94, 94, 95, 96, 96, 97, 98, 98, 99, 99, 100, 100, 101, 102, 102, 103, 104, 104, 105, 106, 106, 107, 107, 108, 108, 109, 110, 110, 111, 112, 112, 113, 114, 114, 115, 116, 116, 117, 117, 118, 118, 119, 119, 120, 120, 121, 121, 122, 122, 123, 123, 124, 124, 125, 125, 126, 126, 127, 127, 128, 128, 129, 129, 130, 130, 131, 131, 132, 132, 133, 133, 134, 134, 135, 135, 136, 136, 137, 137, 138, 138, 139, 139, 140, 140, 141, 141, 142, 142, 143, 143, 144, 144, 145, 145, 146, 146, 147, 147, 148, 148, 149, 149, 150, 150, 151, 151, 152, 153, 153, 154, 154, 155, 155, 156, 156, 157, 157, 158, 158, 159, 159, 160, 160, 161, 161, 162, 162, 163, 163, 164, 164, 165, 165, 166, 166, 167, 167, 168, 168, 169, 169, 170, 170, 171, 171, 172, 172, 173, 173, 174, 174, 175, 175, 176, 176, 177, 177, 178, 178, 179, 179, 180, 180, 181, 181, 182, 182, 183, 183, 184, 184, 185, 185, 186, 186, 187, 187, 188, 188, 189, 190, 190, 191, 191, 192, 192, 193, 193, 194, 194, 195, 195, 196, 196, 197, 197, 198, 198, 199, 199, 200, 200, 201, 201, 202, 202, 203, 203, 204, 204, 205, 205, 206, 206, 207, 207, 208, 208, 209, 209, 210, 210, 211, 211, 212, 212, 213, 213, 214, 214, 215, 215, 216, 216, 217, 217, 218, 218, 219, 219, 220, 220, 221, 221, 222, 222, 223, 223, 224, 224, 225, 225, 226, 227, 227, 228, 228, 229, 229, 230, 230, 231, 231, 232, 232, 233, 233, 234, 234, 235, 235, 236, 236, 237, 237, 238, 238, 239, 239, 240, 240, 241, 241, 242, 242, 243, 243, 244, 244, 245, 245, 246, 246, 247, 247, 248, 248, 249, 249, 250, 250, 251, 251, 252, 252, 253, 253, 254, 254, 255, 255, 256, 256, 257, 257, 258, 258, 259, 259, 260, 260, 261, 261, 262, 262, 263, 264, 264, 265, 265, 266, 266, 267, 267, 268, 268, 269, 269, 270, 270, 271, 271, 272, 272, 273, 273, 274, 274, 275, 275, 276, 276, 277, 277, 278, 278, 279, 279, 280, 280, 281, 281, 282, 282, 283, 283, 284, 284, 285, 285, 286, 286, 287, 287, 288, 288, 289, 289, 290, 290, 291, 291, 292, 292, 293, 293, 294, 294, 295, 295, 296, 296, 297, 297, 298, 298, 299, 299, 300 ]

[ "supplementary", "materials", "Acta", "Cryst.", "(2010).", "E66,", "m1469-m1470", "[", "doi:10.1107/S1600536810042583", "]", "Bis(2,6-dihydroxybenzoato-", "2O1,O1')(nitrato-", "2O,O')bis(1,10-phenanthroline-", "2N,N')neodymium(III)", "J.", "Zheng,", "H.", "Jin", "and", "H.", "Ge", "Comment", "Luminescent", "materials", "based", "on", "lanthanide", "complexes", "have", "been", "extensively", "studied", "owing", "to", "their", "unique", "structures", "and", "potential", "applications", "as", "luminescent", "polymer", "films,", "active", "optical", "fibers", "for", "data", "transmission", "and", "light-emitting", "devices", "(Ma", "et", "al.,", "2010;", "Sa", "et", "al.,", "2000;", "Yang", "et", "al.,", "2008).", "Herein,", "the", "title", "compound", "is", "synthesized", "and", "its", "crystal", "structure", "is", "reported.", "The", "mononuclear", "structure", "of", "the", "title", "compound", "is", "shown", "in", "Fig.", "1.", "The", "ten-coordinated", "geometry", "of", "the", "NdIII", "ion", "is", "completed", "by", "four", "2,6-dihydroxybenzoate", "(DHB)", "O", "atoms,", "four", "phenanthroline", "N", "atoms", "and", "two", "nitrate", "O", "atoms.", "The", "complex", "forms", "a", "ten-coordinated", "distorted", "bicapped", "square", "antiprismatic", "structure", "(Fig.", "2),", "in", "which", "the", "set", "of", "O6,", "O10,", "N4", "and", "N1", "and", "the", "set", "of", "O1,", "O5,", "N2", "and", "N3", "form", "two", "approximate", "square", "planes,", "respectively.", "The", "ninth", "coordinate", "atom", "O2", "and", "tenth", "coordinate", "atom", "O9", "are", "located", "above", "and", "under", "the", "two", "planes", "at", "the", "bicapped", "positions.", "The", "O2—Nd1–O9", "bond", "angle", "is", "175.69", "(6)°", "close", "to", "180°,", "which", "indicates", "the", "O2,", "Nd1", "and", "O9", "lying", "almost", "on", "a", "line", "and", "being", "regarded", "as", "an", "axis.", "Because", "the", "coordinate", "O2", "and", "O9", "atoms", "are", "excluded", "by", "O6,", "O10,", "N4", "and", "N1", "(formed", "the", "above", "plane)", "and", "O1,", "O5,", "N2", "and", "N3", "(formed", "the", "under", "plane),", "respectively,", "the", "bond", "distances", "of", "Nd1—O2", "[2.5991", "(16)", "Å]", "and", "Nd1—O9", "[2.6060", "(17)", "Å]", "are", "consumedly", "longer", "than", "the", "ones", "of", "Nd1—O1", "[2.5256", "(17)", "Å]", "and", "Nd1—O10", "[2.5573", "(17)", "Å].", "In", "the", "crystal", "structure,", "π–π", "stacking", "interactions", "between", "the", "pyridine", "ring", "of", "phen", "and", "the", "benzene", "ring", "of", "DHB", "link", "the", "discrete", "mononuclear", "complexes", "into", "a", "two-dimensional", "layer", "(Fig.", "3).", "The", "centroid–centroid", "distances", "between", "the", "rings", "are", "3.520", "(6)", "and", "3.798", "(6)", "Å,", "which", "obviously", "helps", "to", "stabilize", "the", "structure.", "Experimental", "Refinement", "All", "reagents", "are", "commercially", "available", "and", "of", "analytical", "grade.", "NdNO3.6H2O", "(0.219", "g,", "0.5", "mmol),", "2,6-dihydroxybenzoic", "acid", "(0.074", "g,", "0.5", "mmol),1,10-phenanthroline", "(0.090", "g,", "0.5", "mmol)", "and", "NaHCO3", "(0.042", "g,", "0.5", "mmol)", "were", "dissolved", "in", "water–ethanol", "solution", "(10", "ml,", "1:1).", "The", "solution", "was", "refluxed", "for", "4", "h,", "and", "filtered", "after", "cooling", "to", "room", "temperature.", "Orange", "single", "crystals", "were", "obtained", "from", "the", "filtrate", "after", "2", "d.", "H", "atoms", "were", "positioned", "geometrically", "and", "refined", "as", "riding", "atoms,", "with", "C—H", "=", "0.93", "and", "O—H", "=", "0.82", "Å", "and", "with", "Uiso(H)", "=", "1.2(1.5", "for", "hydroxy)Ueq(C,O).", "sup-1" ]

[ [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 60, 84.5, 78.3, 94.5 ], [ 80.8, 84.5, 104.9, 94.5 ], [ 107.4, 84.5, 136.6, 94.5 ], [ 139.1, 84.5, 157.7, 94.5 ], [ 160.2, 84.5, 219.1, 94.5 ], [ 229.1, 84.5, 232.4, 94.5 ], [ 234.9, 84.5, 371.8, 94.5 ], [ 374.3, 84.5, 377.7, 94.5 ], [ 60, 113.9, 197.8, 125.6 ], [ 204.8, 109.9, 288.5, 125.6 ], [ 295.5, 109.9, 450.4, 125.6 ], [ 67, 128.1, 179.5, 143.8 ], [ 60, 157.9, 68.8, 169.6 ], [ 71.7, 157.9, 106.5, 169.6 ], [ 109.4, 157.9, 121.4, 169.6 ], [ 124.3, 157.9, 139.9, 169.6 ], [ 142.8, 157.9, 161.7, 169.6 ], [ 164.6, 157.9, 176.6, 169.6 ], [ 179.6, 157.9, 193.8, 169.6 ], [ 60, 191.9, 102.8, 201.9 ], [ 60, 215.4, 111.6, 225.4 ], [ 114.3, 215.4, 150.9, 225.4 ], [ 153.6, 215.4, 176.4, 225.4 ], [ 179.1, 215.4, 189.1, 225.4 ], [ 191.8, 215.4, 233.4, 225.4 ], [ 236.1, 215.4, 278.9, 225.4 ], [ 281.6, 215.4, 300.4, 225.4 ], [ 303.2, 215.4, 322, 225.4 ], [ 324.8, 215.4, 370.2, 225.4 ], [ 373, 215.4, 401.8, 225.4 ], [ 404.6, 215.4, 429.5, 225.4 ], [ 432.3, 215.4, 440, 225.4 ], [ 442.8, 215.4, 461.1, 225.4 ], [ 463.8, 215.4, 491, 225.4 ], [ 493.7, 215.4, 532.5, 225.4 ], [ 535.3, 215.4, 549.7, 225.4 ], [ 60, 230.4, 94.9, 240.4 ], [ 97.9, 230.4, 146.2, 240.4 ], [ 149.2, 230.4, 157.5, 240.4 ], [ 160.5, 230.4, 208.7, 240.4 ], [ 211.7, 230.4, 245, 240.4 ], [ 248, 230.4, 271, 240.4 ], [ 274, 230.4, 297.8, 240.4 ], [ 300.8, 230.4, 328, 240.4 ], [ 331, 230.4, 353.7, 240.4 ], [ 356.7, 230.4, 368.3, 240.4 ], [ 371.3, 230.4, 388, 240.4 ], [ 390.9, 230.4, 441.5, 240.4 ], [ 444.4, 230.4, 458.9, 240.4 ], [ 461.8, 230.4, 516.8, 240.4 ], [ 519.7, 230.4, 549.7, 240.4 ], [ 60, 245.4, 76.6, 255.4 ], [ 79.7, 245.4, 86.9, 255.4 ], [ 89.9, 245.4, 102.6, 255.4 ], [ 105.6, 245.4, 128.4, 255.4 ], [ 131.4, 245.4, 141.4, 255.4 ], [ 144.4, 245.4, 151.6, 255.4 ], [ 154.6, 245.4, 167.4, 255.4 ], [ 170.4, 245.4, 193.2, 255.4 ], [ 196.2, 245.4, 216.8, 255.4 ], [ 219.8, 245.4, 227, 255.4 ], [ 230, 245.4, 242.8, 255.4 ], [ 245.8, 245.4, 271.7, 255.4 ], [ 274.7, 245.4, 304.3, 255.4 ], [ 307.4, 245.4, 319.6, 255.4 ], [ 322.6, 245.4, 338.1, 255.4 ], [ 341.1, 245.4, 383.3, 255.4 ], [ 386.3, 245.4, 392.9, 255.4 ], [ 396, 245.4, 442.6, 255.4 ], [ 445.6, 245.4, 460, 255.4 ], [ 463, 245.4, 472.4, 255.4 ], [ 475.4, 245.4, 502.1, 255.4 ], [ 505.1, 245.4, 540, 255.4 ], [ 543, 245.4, 549.7, 255.4 ], [ 60, 260.4, 95.8, 270.4 ], [ 72.5, 288.7, 88, 298.7 ], [ 91.5, 288.7, 143.7, 298.7 ], [ 147.2, 288.7, 182.1, 298.7 ], [ 185.6, 288.7, 193.9, 298.7 ], [ 197.4, 288.7, 209.6, 298.7 ], [ 213.1, 288.7, 228.6, 298.7 ], [ 232.1, 288.7, 274.3, 298.7 ], [ 277.7, 288.7, 284.4, 298.7 ], [ 287.9, 288.7, 314, 298.7 ], [ 317.5, 288.7, 325.2, 298.7 ], [ 328.7, 288.7, 344.6, 298.7 ], [ 348, 288.7, 355.5, 298.7 ], [ 359, 288.7, 374.6, 298.7 ], [ 378, 288.7, 440.7, 298.7 ], [ 444.2, 288.7, 481.9, 298.7 ], [ 485.4, 288.7, 493.7, 298.7 ], [ 497.2, 288.7, 509.4, 298.7 ], [ 512.9, 285.6, 533.5, 298.7 ], [ 536.9, 288.7, 549.7, 298.7 ], [ 60, 303.7, 66.7, 313.7 ], [ 69.6, 303.7, 111.2, 313.7 ], [ 114.1, 303.7, 124.1, 313.7 ], [ 127, 303.7, 143.6, 313.7 ], [ 146.5, 303.7, 238.9, 313.7 ], [ 241.8, 303.7, 269.6, 313.7 ], [ 272.5, 303.7, 279.7, 313.7 ], [ 282.6, 303.7, 309, 313.7 ], [ 311.9, 303.7, 328.5, 313.7 ], [ 331.4, 303.7, 391.4, 313.7 ], [ 394.3, 303.7, 401.5, 313.7 ], [ 404.4, 303.7, 428.3, 313.7 ], [ 431.2, 303.7, 445.6, 313.7 ], [ 448.5, 303.7, 463.5, 313.7 ], [ 466.4, 303.7, 491.9, 313.7 ], [ 494.8, 303.7, 502, 313.7 ], [ 504.9, 303.7, 531.3, 313.7 ], [ 534.2, 303.7, 549.7, 313.7 ], [ 60, 318.7, 94.4, 328.7 ], [ 96.6, 318.7, 120, 328.7 ], [ 122.2, 318.7, 126.6, 328.7 ], [ 128.9, 318.7, 191.5, 328.7 ], [ 193.8, 318.7, 228.7, 328.7 ], [ 231, 318.7, 267, 328.7 ], [ 269.3, 318.7, 295.4, 328.7 ], [ 297.6, 318.7, 349.7, 328.7 ], [ 352, 318.7, 386.9, 328.7 ], [ 389.1, 318.7, 408.3, 328.7 ], [ 410.5, 318.7, 421.4, 328.7 ], [ 423.6, 318.7, 431.4, 328.7 ], [ 433.6, 318.7, 458, 328.7 ], [ 460.3, 318.7, 472.5, 328.7 ], [ 474.7, 318.7, 485.8, 328.7 ], [ 488, 318.7, 496.3, 328.7 ], [ 498.6, 318.7, 513.3, 328.7 ], [ 515.5, 318.7, 535.3, 328.7 ], [ 537.5, 318.7, 549.7, 328.7 ], [ 60, 333.7, 74.4, 343.7 ], [ 76.8, 333.7, 89, 343.7 ], [ 91.4, 333.7, 105.8, 343.7 ], [ 108.2, 333.7, 120.4, 343.7 ], [ 122.8, 333.7, 133.8, 343.7 ], [ 136.2, 333.7, 144.5, 343.7 ], [ 146.9, 333.7, 161.6, 343.7 ], [ 164, 333.7, 178.7, 343.7 ], [ 181.1, 333.7, 193.3, 343.7 ], [ 195.7, 333.7, 210.1, 343.7 ], [ 212.5, 333.7, 224.7, 343.7 ], [ 227.1, 333.7, 246.5, 343.7 ], [ 248.9, 333.7, 263.8, 343.7 ], [ 266.2, 333.7, 316.1, 343.7 ], [ 318.5, 333.7, 344.6, 343.7 ], [ 347, 333.7, 375, 343.7 ], [ 377.3, 333.7, 427.5, 343.7 ], [ 429.8, 333.7, 445.4, 343.7 ], [ 447.7, 333.7, 468.3, 343.7 ], [ 470.6, 333.7, 512.8, 343.7 ], [ 515.2, 333.7, 535.1, 343.7 ], [ 537.5, 333.7, 549.7, 343.7 ], [ 60, 348.7, 74.4, 358.7 ], [ 76.5, 348.7, 96.5, 358.7 ], [ 98.6, 348.7, 140.8, 358.7 ], [ 142.9, 348.7, 162.8, 358.7 ], [ 164.9, 348.7, 177.2, 358.7 ], [ 179.3, 348.7, 191.4, 358.7 ], [ 193.6, 348.7, 222.4, 358.7 ], [ 224.5, 348.7, 248.3, 358.7 ], [ 250.4, 348.7, 264.9, 358.7 ], [ 267, 348.7, 289.7, 358.7 ], [ 291.8, 348.7, 304, 358.7 ], [ 306.1, 348.7, 321.1, 358.7 ], [ 323.2, 348.7, 348.8, 358.7 ], [ 350.9, 348.7, 358.1, 358.7 ], [ 360.2, 348.7, 372.4, 358.7 ], [ 374.5, 348.7, 410.5, 358.7 ], [ 412.6, 348.7, 451.2, 358.7 ], [ 453.3, 348.7, 468.8, 358.7 ], [ 470.9, 348.7, 527.6, 358.7 ], [ 529.7, 348.7, 549.7, 358.7 ], [ 60, 363.7, 81.6, 373.7 ], [ 83.9, 363.7, 90.5, 373.7 ], [ 92.7, 363.7, 120.2, 373.7 ], [ 122.5, 363.7, 138.1, 373.7 ], [ 140.3, 363.7, 160.8, 373.7 ], [ 163.1, 363.7, 170.8, 373.7 ], [ 173.1, 363.7, 194.5, 373.7 ], [ 196.8, 363.7, 221.2, 373.7 ], [ 223.4, 363.7, 258.9, 373.7 ], [ 261.1, 363.7, 273.3, 373.7 ], [ 275.5, 363.7, 290.3, 373.7 ], [ 292.5, 363.7, 309.7, 373.7 ], [ 311.9, 363.7, 326.4, 373.7 ], [ 328.6, 363.7, 340.8, 373.7 ], [ 343, 363.7, 363.6, 373.7 ], [ 365.8, 363.7, 392.4, 373.7 ], [ 394.6, 363.7, 404.6, 373.7 ], [ 406.8, 363.7, 411.3, 373.7 ], [ 413.5, 363.7, 428.5, 373.7 ], [ 430.7, 363.7, 445.1, 373.7 ], [ 447.3, 363.7, 469.5, 373.7 ], [ 471.8, 363.7, 506.7, 373.7 ], [ 508.9, 363.7, 517.3, 373.7 ], [ 519.5, 363.7, 528.9, 373.7 ], [ 531.1, 363.7, 549.7, 373.7 ], [ 60, 378.7, 93.3, 388.7 ], [ 95.9, 378.7, 108.1, 388.7 ], [ 110.8, 378.7, 152.9, 388.7 ], [ 155.6, 378.7, 167.8, 388.7 ], [ 170.5, 378.7, 184.9, 388.7 ], [ 187.6, 378.7, 199.8, 388.7 ], [ 202.4, 378.7, 226.3, 388.7 ], [ 229, 378.7, 241.2, 388.7 ], [ 243.8, 378.7, 279.9, 388.7 ], [ 282.5, 378.7, 292.5, 388.7 ], [ 295.2, 378.7, 309.9, 388.7 ], [ 312.6, 378.7, 332.3, 388.7 ], [ 334.9, 378.7, 347.2, 388.7 ], [ 349.8, 378.7, 364.3, 388.7 ], [ 366.9, 378.7, 379.1, 388.7 ], [ 381.8, 378.7, 414, 388.7 ], [ 416.6, 378.7, 428.8, 388.7 ], [ 431.5, 378.7, 455.4, 388.7 ], [ 458, 378.7, 483, 388.7 ], [ 485.6, 378.7, 500.1, 388.7 ], [ 502.7, 378.7, 517.4, 388.7 ], [ 520.1, 378.7, 534.8, 388.7 ], [ 537.5, 378.7, 549.7, 388.7 ], [ 60, 393.7, 74.4, 403.7 ], [ 76.8, 393.7, 89, 403.7 ], [ 91.4, 393.7, 123.5, 403.7 ], [ 125.9, 393.7, 138.1, 403.7 ], [ 140.5, 393.7, 163.2, 403.7 ], [ 165.6, 393.7, 193, 403.7 ], [ 195.4, 393.7, 245.5, 403.7 ], [ 247.8, 393.7, 260, 403.7 ], [ 262.4, 393.7, 282.4, 403.7 ], [ 284.7, 393.7, 321.4, 403.7 ], [ 323.7, 393.7, 332, 403.7 ], [ 334.4, 393.7, 373.8, 403.7 ], [ 376.2, 393.7, 407, 403.7 ], [ 409.4, 393.7, 426, 403.7 ], [ 428.4, 393.7, 438.9, 403.7 ], [ 441.3, 393.7, 455.7, 403.7 ], [ 458.1, 393.7, 497.5, 403.7 ], [ 499.9, 393.7, 530.7, 403.7 ], [ 533, 393.7, 549.7, 403.7 ], [ 60, 408.7, 70.6, 418.7 ], [ 73, 408.7, 85.2, 418.7 ], [ 87.7, 408.7, 136, 418.7 ], [ 138.5, 408.7, 164.1, 418.7 ], [ 166.6, 408.7, 183.8, 418.7 ], [ 186.3, 408.7, 198.5, 418.7 ], [ 201, 408.7, 219.3, 418.7 ], [ 221.8, 408.7, 230.1, 418.7 ], [ 232.6, 408.7, 272, 418.7 ], [ 274.6, 408.7, 305.4, 418.7 ], [ 307.9, 408.7, 324.5, 418.7 ], [ 327, 408.7, 337.6, 418.7 ], [ 340.1, 408.7, 354.5, 418.7 ], [ 357, 408.7, 401.5, 418.7 ], [ 404, 408.7, 434.8, 418.7 ], [ 437.3, 408.7, 454, 418.7 ], [ 456.4, 408.7, 469.5, 418.7 ], [ 72.5, 433.7, 80.8, 443.7 ], [ 82.9, 433.7, 95.1, 443.7 ], [ 97.3, 433.7, 123.9, 443.7 ], [ 126, 433.7, 163.5, 443.7 ], [ 165.6, 433.7, 180.7, 443.7 ], [ 182.8, 433.7, 216.1, 443.7 ], [ 218.2, 433.7, 264.8, 443.7 ], [ 266.9, 433.7, 300.2, 443.7 ], [ 302.3, 433.7, 314.5, 443.7 ], [ 316.6, 433.7, 349.9, 443.7 ], [ 352, 433.7, 368.1, 443.7 ], [ 370.2, 433.7, 378.6, 443.7 ], [ 380.7, 433.7, 400.1, 443.7 ], [ 402.2, 433.7, 416.7, 443.7 ], [ 418.8, 433.7, 431, 443.7 ], [ 433.1, 433.7, 465.8, 443.7 ], [ 468, 433.7, 484.1, 443.7 ], [ 486.2, 433.7, 494.5, 443.7 ], [ 496.6, 433.7, 517.7, 443.7 ], [ 519.8, 433.7, 535.4, 443.7 ], [ 537.5, 433.7, 549.7, 443.7 ], [ 60, 448.7, 91, 458.7 ], [ 93.8, 448.7, 146, 458.7 ], [ 148.7, 448.7, 191.4, 458.7 ], [ 194.2, 448.7, 209.7, 458.7 ], [ 212.5, 448.7, 216.9, 458.7 ], [ 219.7, 448.7, 286.8, 458.7 ], [ 289.6, 448.7, 309.6, 458.7 ], [ 312.3, 448.7, 331.5, 458.7 ], [ 334.2, 448.7, 345.1, 458.7 ], [ 347.8, 448.7, 363.4, 458.7 ], [ 366.1, 448.7, 436.6, 458.7 ], [ 439.3, 448.7, 475.9, 458.7 ], [ 478.7, 448.7, 512, 458.7 ], [ 514.7, 448.7, 526.9, 458.7 ], [ 529.7, 448.7, 549.7, 458.7 ], [ 60, 463.7, 72.2, 473.7 ], [ 74.7, 463.7, 97.2, 473.7 ], [ 99.7, 463.7, 111.4, 473.7 ], [ 113.8, 463.7, 128.3, 473.7 ], [ 130.8, 463.7, 153.3, 473.7 ], [ 155.8, 463.7, 167.4, 473.7 ], [ 169.9, 463.7, 179.7, 473.7 ], [ 182.2, 463.7, 206.6, 473.7 ], [ 209.1, 463.7, 248.5, 473.7 ], [ 251, 463.7, 272.1, 473.7 ], [ 274.6, 463.7, 282.4, 473.7 ], [ 284.9, 463.7, 318.1, 473.7 ], [ 320.6, 463.7, 332.8, 473.7 ], [ 335.3, 463.7, 372.8, 473.7 ], [ 60, 497.2, 117.2, 507.2 ], [ 60, 602.2, 109.8, 612.2 ], [ 60, 520.7, 72.8, 530.7 ], [ 75.2, 520.7, 108.5, 530.7 ], [ 111, 520.7, 123.1, 530.7 ], [ 125.6, 520.7, 180.5, 530.7 ], [ 183, 520.7, 219, 530.7 ], [ 221.4, 520.7, 235.9, 530.7 ], [ 238.3, 520.7, 246.7, 530.7 ], [ 249.1, 520.7, 287.9, 530.7 ], [ 290.4, 520.7, 315.1, 530.7 ], [ 317.5, 520.7, 374.5, 532.2 ], [ 376.9, 520.7, 402.7, 530.7 ], [ 405.2, 520.7, 412.7, 530.7 ], [ 415.2, 520.7, 427.7, 530.7 ], [ 430.1, 520.7, 459.3, 530.7 ], [ 461.7, 520.7, 549.7, 530.7 ], [ 60, 537.2, 76.6, 547.2 ], [ 79.9, 537.2, 105.8, 547.2 ], [ 109.1, 537.2, 116.6, 547.2 ], [ 119.9, 537.2, 132.4, 547.2 ], [ 135.7, 537.2, 245.6, 547.2 ], [ 248.9, 537.2, 274.7, 547.2 ], [ 278, 537.2, 285.5, 547.2 ], [ 288.8, 537.2, 301.3, 547.2 ], [ 304.6, 537.2, 331.2, 547.2 ], [ 334.5, 537.2, 349, 547.2 ], [ 352.3, 537.2, 389.2, 548.7 ], [ 392.5, 537.2, 418.3, 547.2 ], [ 421.6, 537.2, 429.1, 547.2 ], [ 432.4, 537.2, 444.9, 547.2 ], [ 448.2, 537.2, 474.9, 547.2 ], [ 478.2, 537.2, 497.6, 547.2 ], [ 500.9, 537.2, 538.6, 547.2 ], [ 541.9, 537.2, 549.7, 547.2 ], [ 60, 553.8, 116.6, 563.8 ], [ 118.4, 553.8, 150.6, 563.8 ], [ 152.5, 553.8, 165.8, 563.8 ], [ 167.7, 553.8, 180.7, 563.8 ], [ 182.6, 553.8, 201.2, 563.8 ], [ 203, 553.8, 218.6, 563.8 ], [ 220.4, 553.8, 252.6, 563.8 ], [ 254.5, 553.8, 270, 563.8 ], [ 271.9, 553.8, 305.2, 563.8 ], [ 307, 553.8, 318.7, 563.8 ], [ 320.5, 553.8, 325.5, 563.8 ], [ 327.4, 553.8, 334.9, 563.8 ], [ 336.7, 553.8, 351.2, 563.8 ], [ 353, 553.8, 381.8, 563.8 ], [ 383.7, 553.8, 402, 563.8 ], [ 403.8, 553.8, 433.8, 563.8 ], [ 435.7, 553.8, 443.4, 563.8 ], [ 445.3, 553.8, 466.4, 563.8 ], [ 468.2, 553.8, 518.4, 563.8 ], [ 520.3, 553.8, 549.7, 563.8 ], [ 60, 568.8, 83.9, 578.8 ], [ 86.4, 568.8, 116.9, 578.8 ], [ 119.4, 568.8, 138.8, 578.8 ], [ 141.3, 568.8, 175.7, 578.8 ], [ 178.2, 568.8, 197.6, 578.8 ], [ 200.1, 568.8, 212.3, 578.8 ], [ 214.8, 568.8, 241.4, 578.8 ], [ 243.9, 568.8, 262.2, 578.8 ], [ 264.7, 568.8, 269.7, 578.8 ], [ 272.2, 568.8, 279.7, 578.8 ], [ 60, 625.8, 67.2, 635.8 ], [ 69.3, 625.8, 93.2, 635.8 ], [ 95.3, 625.8, 114.7, 635.8 ], [ 116.8, 625.8, 158.5, 635.8 ], [ 160.6, 625.8, 215.5, 635.8 ], [ 217.6, 625.8, 232, 635.8 ], [ 234.1, 625.8, 262.4, 635.8 ], [ 264.5, 625.8, 272.9, 635.8 ], [ 275, 625.8, 298.8, 635.8 ], [ 301, 625.8, 327.3, 635.8 ], [ 329.4, 625.8, 347.2, 635.8 ], [ 349.3, 625.8, 373.2, 635.8 ], [ 375.3, 625.8, 380.9, 635.8 ], [ 383.1, 625.8, 400.6, 635.8 ], [ 402.7, 625.8, 417.1, 635.8 ], [ 419.2, 625.8, 443.7, 635.8 ], [ 445.8, 625.8, 451.4, 635.8 ], [ 453.5, 625.8, 471, 635.8 ], [ 473.1, 625.8, 480.4, 635.8 ], [ 482.5, 625.8, 496.9, 635.8 ], [ 499, 625.8, 516.8, 635.8 ], [ 518.9, 625.7, 549.7, 637.2 ], [ 60, 642.3, 65.6, 652.3 ], [ 68.1, 642.3, 96.5, 652.3 ], [ 99, 642.3, 110.6, 652.3 ], [ 113.1, 642.2, 190.4, 653.7 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 0, 0, 0, 0, 3, 3, 3, 3, 3, 3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 11 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 12 ]

[ 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 3, 4, 4, 4, 4, 4, 4, 4, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 10, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 18, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 21, 22, 23, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 24, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 27, 27, 27, 27, 27, 27, 27, 27, 27, 27, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 29, 29, 29, 29, 30 ]

[ "N2—C1", "N2—C5", "N3—C13", "N3—C17", "N4—C24", "N4—C18", "C1—C2", "C1—H1", "C2—C3", "C2—H2", "C3—C4", "C3—H3", "C4—C5", "C4—C9", "C5—C6", "C6—C7", "C7—C10", "C7—C8", "C8—C9", "C8—H8", "O1—Nd1—O5", "O1—Nd1—O6", "O5—Nd1—O6", "O1—Nd1—O10", "O5—Nd1—O10", "O6—Nd1—O10", "O1—Nd1—O2", "O5—Nd1—O2", "O6—Nd1—O2", "O10—Nd1—O2", "O1—Nd1—N4", "O5—Nd1—N4", "O6—Nd1—N4", "O10—Nd1—N4", "O2—Nd1—N4", "O1—Nd1—O9", "O5—Nd1—O9", "O6—Nd1—O9", "O10—Nd1—O9", "O2—Nd1—O9", "N4—Nd1—O9", "O1—Nd1—N3", "O5—Nd1—N3", "O6—Nd1—N3", "O10—Nd1—N3", "O2—Nd1—N3", "N4—Nd1—N3", "O9—Nd1—N3", "O1—Nd1—N2", "1.328", "(3)", "1.357", "(3)", "1.332", "(3)", "1.364", "(3)", "1.331", "(3)", "1.356", "(3)", "1.399", "(4)", "0.9300", "1.342", "(4)", "0.9300", "1.394", "(4)", "0.9300", "1.414", "(3)", "1.429", "(4)", "1.438", "(3)", "1.409", "(4)", "1.401", "(4)", "1.431", "(4)", "1.339", "(4)", "0.9300", "79.78", "(6)", "75.70", "(6)", "51.50", "(6)", "144.32", "(6)", "70.60", "(6)", "70.45", "(6)", "50.70", "(6)", "72.24", "(6)", "107.76", "(6)", "131.55", "(6)", "72.27", "(6)", "135.00", "(7)", "87.22", "(6)", "116.16", "(6)", "112.01", "(6)", "125.66", "(6)", "105.44", "(6)", "68.20", "(6)", "49.28", "(6)", "175.69", "(6)", "66.89", "(6)", "78.54", "(6)", "144.28", "(6)", "144.89", "(6)", "136.93", "(7)", "72.06", "(6)", "62.24", "(6)", "110.26", "(6)", "122.32", "(6)", "C26—C27", "C26—C31", "C27—C28", "C28—C29", "C28—H28", "C29—C30", "C29—H29", "C30—C31", "C30—H30", "C32—C33", "C33—C38", "C33—C34", "C34—C35", "C35—C36", "C35—H35", "C36—C37", "C36—H36", "C37—C38", "C37—H37", "N1—C6—C7", "N1—C6—C5", "C7—C6—C5", "C10—C7—C6", "C10—C7—C8", "C6—C7—C8", "C9—C8—C7", "C9—C8—H8", "C7—C8—H8", "C8—C9—C4", "C8—C9—H9", "C4—C9—H9", "C11—C10—C7", "C11—C10—H10", "C7—C10—H10", "C10—C11—C12", "C10—C11—H11", "C12—C11—H11", "N1—C12—C11", "N1—C12—H12", "C11—C12—H12", "N3—C13—C14", "N3—C13—H13", "C14—C13—H13", "C15—C14—C13", "C15—C14—H14", "C13—C14—H14", "C14—C15—C16", "C14—C15—H15", "supplementary", "materials", "1.407", "(4)", "1.407", "(3)", "1.388", "(4)", "1.361", "(4)", "0.9300", "1.359", "(4)", "0.9300", "1.390", "(4)", "0.9300", "1.481", "(4)", "1.406", "(4)", "1.408", "(4)", "1.396", "(4)", "1.374", "(4)", "0.9300", "1.366", "(4)", "0.9300", "1.387", "(4)", "0.9300", "121.9", "(2)", "118.3", "(2)", "119.8", "(2)", "117.5", "(2)", "123.4", "(3)", "119.1", "(3)", "121.1", "(3)", "119.4", "119.4", "121.6", "(3)", "119.2", "119.2", "120.2", "(3)", "119.9", "119.9", "118.4", "(3)", "120.8", "120.8", "124.4", "(3)", "117.8", "117.8", "123.1", "(3)", "118.5", "118.5", "119.0", "(3)", "120.5", "120.5", "120.3", "(3)", "119.8", "sup-7" ]

[ [ 61.2, 74.2, 91.7, 83.2 ], [ 61.2, 87.4, 91.7, 96.4 ], [ 61.2, 100.6, 96.2, 109.6 ], [ 61.2, 113.8, 96.2, 122.8 ], [ 61.2, 127, 96.2, 136 ], [ 61.2, 140.2, 96.2, 149.2 ], [ 61.2, 153.4, 91.2, 162.4 ], [ 61.2, 166.6, 91.7, 175.6 ], [ 61.2, 179.8, 91.2, 188.8 ], [ 61.2, 193, 91.7, 202 ], [ 61.2, 206.2, 91.2, 215.2 ], [ 61.2, 219.4, 91.7, 228.4 ], [ 61.2, 232.6, 91.2, 241.6 ], [ 61.2, 245.8, 91.2, 254.8 ], [ 61.2, 259, 91.2, 268 ], [ 61.2, 272.2, 91.2, 281.2 ], [ 61.2, 285.4, 95.7, 294.4 ], [ 61.2, 298.6, 91.2, 307.6 ], [ 61.2, 311.8, 91.2, 320.8 ], [ 61.2, 325, 91.7, 334 ], [ 61.2, 340.6, 116.7, 349.6 ], [ 61.2, 353.8, 116.7, 362.8 ], [ 61.2, 367, 116.7, 376 ], [ 61.2, 380.2, 121.2, 389.2 ], [ 61.2, 393.4, 121.2, 402.4 ], [ 61.2, 406.6, 121.2, 415.6 ], [ 61.2, 419.8, 116.7, 428.8 ], [ 61.2, 433, 116.7, 442 ], [ 61.2, 446.2, 116.7, 455.2 ], [ 61.2, 459.4, 121.2, 468.4 ], [ 61.2, 472.6, 116.7, 481.6 ], [ 61.2, 485.8, 116.7, 494.8 ], [ 61.2, 499, 116.7, 508 ], [ 61.2, 512.2, 121.2, 521.2 ], [ 61.2, 525.4, 116.7, 534.4 ], [ 61.2, 538.6, 116.7, 547.6 ], [ 61.2, 551.8, 116.7, 560.8 ], [ 61.2, 565, 116.7, 574 ], [ 61.2, 578.2, 121.2, 587.2 ], [ 61.2, 591.4, 116.7, 600.4 ], [ 61.2, 604.6, 116.7, 613.6 ], [ 61.2, 617.8, 116.7, 626.8 ], [ 61.2, 631, 116.7, 640 ], [ 61.2, 644.2, 116.7, 653.2 ], [ 61.2, 657.4, 121.2, 666.4 ], [ 61.2, 670.6, 116.7, 679.6 ], [ 61.2, 683.8, 116.7, 692.8 ], [ 61.2, 697, 116.7, 706 ], [ 61.2, 710.2, 116.7, 719.2 ], [ 208.1, 74.2, 228.4, 83.2 ], [ 230.6, 74.2, 241.1, 83.2 ], [ 208.1, 87.4, 228.4, 96.4 ], [ 230.6, 87.4, 241.1, 96.4 ], [ 208.1, 100.6, 228.4, 109.6 ], [ 230.6, 100.6, 241.1, 109.6 ], [ 208.1, 113.8, 228.4, 122.8 ], [ 230.6, 113.8, 241.1, 122.8 ], [ 208.1, 127, 228.4, 136 ], [ 230.6, 127, 241.1, 136 ], [ 208.1, 140.2, 228.4, 149.2 ], [ 230.6, 140.2, 241.1, 149.2 ], [ 208.1, 153.4, 228.4, 162.4 ], [ 230.6, 153.4, 241.1, 162.4 ], [ 208.1, 166.6, 232.9, 175.6 ], [ 208.1, 179.8, 228.4, 188.8 ], [ 230.6, 179.8, 241.1, 188.8 ], [ 208.1, 193, 232.9, 202 ], [ 208.1, 206.2, 228.4, 215.2 ], [ 230.6, 206.2, 241.1, 215.2 ], [ 208.1, 219.4, 232.9, 228.4 ], [ 208.1, 232.6, 228.4, 241.6 ], [ 230.6, 232.6, 241.1, 241.6 ], [ 208.1, 245.8, 228.4, 254.8 ], [ 230.6, 245.8, 241.1, 254.8 ], [ 208.1, 259, 228.4, 268 ], [ 230.6, 259, 241.1, 268 ], [ 208.1, 272.2, 228.4, 281.2 ], [ 230.6, 272.2, 241.1, 281.2 ], [ 208.1, 285.4, 228.4, 294.4 ], [ 230.6, 285.4, 241.1, 294.4 ], [ 208.1, 298.6, 228.4, 307.6 ], [ 230.6, 298.6, 241.1, 307.6 ], [ 208.1, 311.8, 228.4, 320.8 ], [ 230.6, 311.8, 241.1, 320.8 ], [ 208.1, 325, 232.9, 334 ], [ 208.1, 340.6, 228.4, 349.6 ], [ 230.6, 340.6, 241.1, 349.6 ], [ 208.1, 353.8, 228.4, 362.8 ], [ 230.6, 353.8, 241.1, 362.8 ], [ 208.1, 367, 228.4, 376 ], [ 230.6, 367, 241.1, 376 ], [ 208.1, 380.2, 232.9, 389.2 ], [ 235.1, 380.2, 245.6, 389.2 ], [ 208.1, 393.4, 228.4, 402.4 ], [ 230.6, 393.4, 241.1, 402.4 ], [ 208.1, 406.6, 228.4, 415.6 ], [ 230.6, 406.6, 241.1, 415.6 ], [ 208.1, 419.8, 228.4, 428.8 ], [ 230.6, 419.8, 241.1, 428.8 ], [ 208.1, 433, 228.4, 442 ], [ 230.6, 433, 241.1, 442 ], [ 208.1, 446.2, 232.9, 455.2 ], [ 235.1, 446.2, 245.6, 455.2 ], [ 208.1, 459.4, 232.9, 468.4 ], [ 235.1, 459.4, 245.6, 468.4 ], [ 208.1, 472.6, 228.4, 481.6 ], [ 230.6, 472.6, 241.1, 481.6 ], [ 208.1, 485.8, 232.9, 494.8 ], [ 235.1, 485.8, 245.6, 494.8 ], [ 208.1, 499, 228.4, 508 ], [ 230.6, 499, 241.1, 508 ], [ 208.1, 512.2, 232.5, 521.2 ], [ 234.8, 512.2, 245.3, 521.2 ], [ 208.1, 525.4, 232.5, 534.4 ], [ 234.8, 525.4, 245.3, 534.4 ], [ 208.1, 538.6, 232.9, 547.6 ], [ 235.1, 538.6, 245.6, 547.6 ], [ 208.1, 551.8, 232.9, 560.8 ], [ 235.1, 551.8, 245.6, 560.8 ], [ 208.1, 565, 228.4, 574 ], [ 230.6, 565, 241.1, 574 ], [ 208.1, 578.2, 228.4, 587.2 ], [ 230.6, 578.2, 241.1, 587.2 ], [ 208.1, 591.4, 232.9, 600.4 ], [ 235.1, 591.4, 245.6, 600.4 ], [ 208.1, 604.6, 228.4, 613.6 ], [ 230.6, 604.6, 241.1, 613.6 ], [ 208.1, 617.8, 228.4, 626.8 ], [ 230.6, 617.8, 241.1, 626.8 ], [ 208.1, 631, 232.9, 640 ], [ 235.1, 631, 245.6, 640 ], [ 208.1, 644.2, 232.9, 653.2 ], [ 235.1, 644.2, 245.6, 653.2 ], [ 208.1, 657.4, 232.9, 666.4 ], [ 235.1, 657.4, 245.6, 666.4 ], [ 208.1, 670.6, 228.4, 679.6 ], [ 230.6, 670.6, 241.1, 679.6 ], [ 208.1, 683.8, 228.4, 692.8 ], [ 230.6, 683.8, 241.1, 692.8 ], [ 208.1, 697, 232.5, 706 ], [ 234.8, 697, 245.3, 706 ], [ 208.1, 710.2, 232.9, 719.2 ], [ 235.1, 710.2, 245.6, 719.2 ], [ 306, 74.2, 345, 83.2 ], [ 306, 87.4, 345, 96.4 ], [ 306, 100.6, 345, 109.6 ], [ 306, 113.8, 345, 122.8 ], [ 306, 127, 345.5, 136 ], [ 306, 140.2, 345, 149.2 ], [ 306, 153.4, 345.5, 162.4 ], [ 306, 166.6, 345, 175.6 ], [ 306, 179.8, 345.5, 188.8 ], [ 306, 193, 345, 202 ], [ 306, 206.2, 345, 215.2 ], [ 306, 219.4, 345, 228.4 ], [ 306, 232.6, 345, 241.6 ], [ 306, 245.8, 345, 254.8 ], [ 306, 259, 345.5, 268 ], [ 306, 272.2, 345, 281.2 ], [ 306, 285.4, 345.5, 294.4 ], [ 306, 298.6, 345, 307.6 ], [ 306, 311.8, 345.5, 320.8 ], [ 306, 340.6, 356, 349.6 ], [ 306, 353.8, 356, 362.8 ], [ 306, 367, 355.5, 376 ], [ 306, 380.2, 360, 389.2 ], [ 306, 393.4, 360, 402.4 ], [ 306, 406.6, 355.5, 415.6 ], [ 306, 419.8, 355.5, 428.8 ], [ 306, 433, 356, 442 ], [ 306, 446.2, 356, 455.2 ], [ 306, 459.4, 355.5, 468.4 ], [ 306, 472.6, 356, 481.6 ], [ 306, 485.8, 356, 494.8 ], [ 306, 499, 364.2, 508 ], [ 306, 512.2, 369.2, 521.2 ], [ 306, 525.4, 365, 534.4 ], [ 306, 538.6, 368.7, 547.6 ], [ 306, 551.8, 368.9, 560.8 ], [ 306, 565, 368.9, 574 ], [ 306, 578.2, 364.7, 587.2 ], [ 306, 591.4, 365.5, 600.4 ], [ 306, 604.6, 369.2, 613.6 ], [ 306, 617.8, 365, 626.8 ], [ 306, 631, 365.5, 640 ], [ 306, 644.2, 369.5, 653.2 ], [ 306, 657.4, 369, 666.4 ], [ 306, 670.6, 369.5, 679.6 ], [ 306, 683.8, 369.5, 692.8 ], [ 306, 697, 369, 706 ], [ 306, 710.2, 369.5, 719.2 ], [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 453, 74.2, 473.2, 83.2 ], [ 475.5, 74.2, 486, 83.2 ], [ 453, 87.4, 473.2, 96.4 ], [ 475.5, 87.4, 486, 96.4 ], [ 453, 100.6, 473.2, 109.6 ], [ 475.5, 100.6, 486, 109.6 ], [ 453, 113.8, 473.2, 122.8 ], [ 475.5, 113.8, 486, 122.8 ], [ 453, 127, 477.7, 136 ], [ 453, 140.2, 473.2, 149.2 ], [ 475.5, 140.2, 486, 149.2 ], [ 453, 153.4, 477.7, 162.4 ], [ 453, 166.6, 473.2, 175.6 ], [ 475.5, 166.6, 486, 175.6 ], [ 453, 179.8, 477.7, 188.8 ], [ 453, 193, 473.2, 202 ], [ 475.5, 193, 486, 202 ], [ 453, 206.2, 473.2, 215.2 ], [ 475.5, 206.2, 486, 215.2 ], [ 453, 219.4, 473.2, 228.4 ], [ 475.5, 219.4, 486, 228.4 ], [ 453, 232.6, 473.2, 241.6 ], [ 475.5, 232.6, 486, 241.6 ], [ 453, 245.8, 473.2, 254.8 ], [ 475.5, 245.8, 486, 254.8 ], [ 453, 259, 477.7, 268 ], [ 453, 272.2, 473.2, 281.2 ], [ 475.5, 272.2, 486, 281.2 ], [ 453, 285.4, 477.7, 294.4 ], [ 453, 298.6, 473.2, 307.6 ], [ 475.5, 298.6, 486, 307.6 ], [ 453, 311.8, 477.7, 320.8 ], [ 453, 340.6, 473.2, 349.6 ], [ 475.5, 340.6, 486, 349.6 ], [ 453, 353.8, 472.9, 362.8 ], [ 475.1, 353.8, 485.6, 362.8 ], [ 453, 367, 472.9, 376 ], [ 475.1, 367, 485.6, 376 ], [ 453, 380.2, 472.9, 389.2 ], [ 475.1, 380.2, 485.6, 389.2 ], [ 453, 393.4, 473.2, 402.4 ], [ 475.5, 393.4, 486, 402.4 ], [ 453, 406.6, 472.9, 415.6 ], [ 475.1, 406.6, 485.6, 415.6 ], [ 453, 419.8, 473.2, 428.8 ], [ 475.5, 419.8, 486, 428.8 ], [ 453, 433, 472.9, 442 ], [ 453, 446.2, 472.9, 455.2 ], [ 453, 459.4, 473.2, 468.4 ], [ 475.5, 459.4, 486, 468.4 ], [ 453, 472.6, 472.9, 481.6 ], [ 453, 485.8, 472.9, 494.8 ], [ 453, 499, 473.2, 508 ], [ 475.5, 499, 486, 508 ], [ 453, 512.2, 472.9, 521.2 ], [ 453, 525.4, 472.9, 534.4 ], [ 453, 538.6, 472.9, 547.6 ], [ 475.1, 538.6, 485.6, 547.6 ], [ 453, 551.8, 473.2, 560.8 ], [ 453, 565, 473.2, 574 ], [ 453, 578.2, 473.2, 587.2 ], [ 475.5, 578.2, 486, 587.2 ], [ 453, 591.4, 472.9, 600.4 ], [ 453, 604.6, 472.9, 613.6 ], [ 453, 617.8, 473.2, 626.8 ], [ 475.5, 617.8, 486, 626.8 ], [ 453, 631, 472.9, 640 ], [ 453, 644.2, 472.9, 653.2 ], [ 453, 657.4, 472.9, 666.4 ], [ 475.1, 657.4, 485.6, 666.4 ], [ 453, 670.6, 473.2, 679.6 ], [ 453, 683.8, 473.2, 692.8 ], [ 453, 697, 473.2, 706 ], [ 475.5, 697, 486, 706 ], [ 453, 710.2, 472.9, 719.2 ], [ 521, 744.4, 549.7, 756.4 ] ]

[ 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 2, 2, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 11 ]

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9 ]

[ 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 49, 50, 50, 51, 51, 52, 52, 53, 53, 54, 54, 55, 55, 56, 57, 57, 58, 59, 59, 60, 61, 61, 62, 62, 63, 63, 64, 64, 65, 65, 66, 66, 67, 67, 68, 69, 69, 70, 70, 71, 71, 72, 72, 73, 73, 74, 74, 75, 75, 76, 76, 77, 77, 78, 78, 79, 79, 80, 80, 81, 81, 82, 82, 83, 83, 84, 84, 85, 85, 86, 86, 87, 87, 88, 88, 89, 89, 90, 90, 91, 91, 92, 92, 93, 93, 94, 94, 95, 95, 96, 96, 97, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 146, 147, 147, 148, 148, 149, 149, 150, 150, 151, 152, 152, 153, 154, 154, 155, 156, 156, 157, 157, 158, 158, 159, 159, 160, 160, 161, 162, 162, 163, 164, 164, 165, 166, 166, 167, 167, 168, 168, 169, 169, 170, 170, 171, 171, 172, 172, 173, 174, 175, 175, 176, 177, 178, 178, 179, 180, 181, 181, 182, 183, 184, 184, 185, 186, 187, 187, 188, 189, 190, 190, 191, 192, 193, 193, 194, 195 ]

[ "Fig.", "2", "supplementary", "materials", "sup-11" ]

[ [ 60, 93, 75.4, 103 ], [ 78.2, 93, 83.8, 103 ], [ 378.5, 37.4, 481.3, 53.4 ], [ 485.7, 37.4, 549.7, 53.4 ], [ 514.3, 744.4, 549.7, 756.4 ] ]

[ 6, 6, 2, 2, 11 ]

[ 0, 0, 1, 1, 2 ]

[ 0, 0, 1, 1, 2 ]