| OpenBabel03292410433D | |
| 75 82 0 0 0 0 0 0 0 0999 V2000 | |
| -0.1081 -0.0063 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0729 -0.1709 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2350 0.0085 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0537 0.1730 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0718 -0.0653 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1008 -0.1294 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0504 -0.1750 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0108 -0.1401 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0588 -0.2498 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1745 -0.1447 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1999 -0.1463 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2737 -0.1616 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3029 -0.1702 -0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3068 -0.1656 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1332 -0.1353 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1968 -0.1664 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2437 -0.1171 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2059 -0.0539 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2102 -0.2399 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3170 -0.1248 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3468 -0.1709 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1982 0.0673 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2265 0.1300 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1755 0.1768 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1152 0.1423 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2995 0.1440 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1825 0.2490 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2100 0.2703 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0051 0.1376 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0691 0.1694 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1142 0.1194 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0780 0.0568 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0819 0.2432 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1870 0.1266 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2287 0.1282 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3016 0.1353 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3186 0.1388 0.0673 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3477 0.1377 -0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0034 -0.0728 0.0161 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1410 -0.0693 0.0103 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 0.1302 0.0753 -0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0138 0.0716 0.0149 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 0.0505 0.0078 -0.0030 Fe 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 0.0749 -0.2254 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2893 0.0115 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.0509 0.2272 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0610 -0.2653 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0164 -0.2740 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1048 -0.2642 0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1831 -0.1931 0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2012 -0.1061 0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1913 -0.0978 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1732 -0.1849 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1628 -0.2668 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2397 -0.2587 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2376 -0.2474 0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3463 -0.0931 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3997 -0.1800 -0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3180 -0.1993 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3277 0.0975 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3055 0.1658 -0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3181 0.1789 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.1651 0.2847 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2307 0.2348 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2118 0.3232 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0357 0.2707 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1197 0.2592 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0997 0.2527 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2026 0.0844 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1946 0.1729 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2131 0.1704 -0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2211 0.0818 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3541 -0.1755 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3938 0.1424 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1623 -0.0094 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 5 1 0 0 0 0 | |
| 1 32 2 0 0 0 0 | |
| 1 75 1 0 0 0 0 | |
| 2 8 1 0 0 0 0 | |
| 2 15 2 0 0 0 0 | |
| 2 44 1 0 0 0 0 | |
| 3 18 1 0 0 0 0 | |
| 3 22 2 0 0 0 0 | |
| 3 45 1 0 0 0 0 | |
| 4 25 2 0 0 0 0 | |
| 4 29 1 0 0 0 0 | |
| 4 46 1 0 0 0 0 | |
| 5 6 2 0 0 0 0 | |
| 5 39 1 0 0 0 0 | |
| 6 7 1 0 0 0 0 | |
| 6 10 1 0 0 0 0 | |
| 7 8 2 0 0 0 0 | |
| 7 9 1 0 0 0 0 | |
| 8 39 1 0 0 0 0 | |
| 9 47 1 0 0 0 0 | |
| 9 48 1 0 0 0 0 | |
| 9 49 1 0 0 0 0 | |
| 10 11 1 0 0 0 0 | |
| 10 50 1 0 0 0 0 | |
| 10 51 1 0 0 0 0 | |
| 11 12 1 0 0 0 0 | |
| 11 52 1 0 0 0 0 | |
| 11 53 1 0 0 0 0 | |
| 12 13 2 0 0 0 0 | |
| 12 14 1 0 0 0 0 | |
| 14 73 1 0 0 0 0 | |
| 15 16 1 0 0 0 0 | |
| 15 40 1 0 0 0 0 | |
| 16 17 2 0 0 0 0 | |
| 16 19 1 0 0 0 0 | |
| 17 18 1 0 0 0 0 | |
| 17 20 1 0 0 0 0 | |
| 18 40 2 0 0 0 0 | |
| 19 54 1 0 0 0 0 | |
| 19 55 1 0 0 0 0 | |
| 19 56 1 0 0 0 0 | |
| 20 21 2 0 0 0 0 | |
| 20 57 1 0 0 0 0 | |
| 21 58 1 0 0 0 0 | |
| 21 59 1 0 0 0 0 | |
| 22 23 1 0 0 0 0 | |
| 22 41 1 0 0 0 0 | |
| 23 24 2 0 0 0 0 | |
| 23 26 1 0 0 0 0 | |
| 24 25 1 0 0 0 0 | |
| 24 27 1 0 0 0 0 | |
| 25 41 1 0 0 0 0 | |
| 26 60 1 0 0 0 0 | |
| 26 61 1 0 0 0 0 | |
| 26 62 1 0 0 0 0 | |
| 27 28 2 0 0 0 0 | |
| 27 63 1 0 0 0 0 | |
| 28 64 1 0 0 0 0 | |
| 28 65 1 0 0 0 0 | |
| 29 30 1 0 0 0 0 | |
| 29 42 2 0 0 0 0 | |
| 30 31 2 0 0 0 0 | |
| 30 33 1 0 0 0 0 | |
| 31 32 1 0 0 0 0 | |
| 31 34 1 0 0 0 0 | |
| 32 42 1 0 0 0 0 | |
| 33 66 1 0 0 0 0 | |
| 33 67 1 0 0 0 0 | |
| 33 68 1 0 0 0 0 | |
| 34 35 1 0 0 0 0 | |
| 34 69 1 0 0 0 0 | |
| 34 70 1 0 0 0 0 | |
| 35 36 1 0 0 0 0 | |
| 35 71 1 0 0 0 0 | |
| 35 72 1 0 0 0 0 | |
| 36 37 2 0 0 0 0 | |
| 36 38 1 0 0 0 0 | |
| 38 74 1 0 0 0 0 | |
| 40 43 1 0 0 0 0 | |
| 41 43 1 0 0 0 0 | |
| 42 43 1 0 0 0 0 | |
| 43 39 1 6 0 0 0 | |
| M END | |
| $$$$ | |