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[O-] P ( O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c n c 2 c ( n c n c 2 1 ) N ) O ) ( = O ) O P ( = O ) ( [O-] ) [O-] . [C@H] ( O ) ( C ( = O ) [O-] ) C ( C O ) = O | P ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) O ) ( = O ) ( O P ( [O-] ) ( [O-] ) = O ) [O-] . O = P ( O C C ( = O ) [C@H] ( C ( [O-] ) = O ) O ) ( [O-] ) [O-] . [H+] | MTISNPRPLLGCIADDFTGATDLANMLVRGGMRTVQSIGIPSAEVAAGLDADAVVIALKSRTTAASEAVAESLAALQWLRDQGCEQIFFKYCSTFDSTAAGNIGQVSEALLEALGSDFTLACPAFPENGRTIFRGHLFVQDQLLSESGMQHHPLTPMTDANLVRVLQSQTRLPVGLLRYDSIAQGVEAVRSRIAELRGQGVALAIADALSDADLYTLGAACADLPLLTGGSGLALGLPENFRRAGKLRDLDAASLPKVAGGEVVLAGSASLATNAQVDAWLEAERPAWRIDPLALAAGEAVVEQALAFAREQQGTVLIYATSTPEEVKAVQRQLGAERAGALVENALGEIARGLRDSGVRRFVVAGGETSGAVVKALDVRLLQIGAQIDPGVPATVSSGGEPLALALKSGNFGGRDFFSKALGQLAGGQA | tensor([[ 1.1348e-01, -2.0167e-02, -6.4503e-02, 1.0246e-01, 3.3045e-02,
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[H+] . O [C@H] ( C ( C O P ( [O-] ) ( [O-] ) = O ) = O ) C ( [O-] ) = O . O 1 [C@@H] ( [C@@H] ( O ) [C@@H] ( O ) [C@@H] 1 n 1 c n c 2 c 1 n c n c 2 N ) C O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-] | C ( = O ) ( [O-] ) [C@H] ( O ) C ( = O ) C O . O [C@H] 1 [C@H] ( [C@H] ( n 2 c 3 n c n c ( c 3 n c 2 ) N ) O [C@@H] 1 C O P ( = O ) ( O P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O ) [O-] ) O | MTISNPRPLLGCIADDFTGATDLANMLVRGGMRTVQSIGIPSAEVAAGLDADAVVIALKSRTTAASEAVAESLAALQWLRDQGCEQIFFKYCSTFDSTAAGNIGQVSEALLEALGSDFTLACPAFPENGRTIFRGHLFVQDQLLSESGMQHHPLTPMTDANLVRVLQSQTRLPVGLLRYDSIAQGVEAVRSRIAELRGQGVALAIADALSDADLYTLGAACADLPLLTGGSGLALGLPENFRRAGKLRDLDAASLPKVAGGEVVLAGSASLATNAQVDAWLEAERPAWRIDPLALAAGEAVVEQALAFAREQQGTVLIYATSTPEEVKAVQRQLGAERAGALVENALGEIARGLRDSGVRRFVVAGGETSGAVVKALDVRLLQIGAQIDPGVPATVSSGGEPLALALKSGNFGGRDFFSKALGQLAGGQA | tensor([[ 1.1348e-01, -2.0167e-02, -6.4503e-02, 1.0246e-01, 3.3045e-02,
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[C@@H] ( C ( = O ) [O-] ) ( O ) C ( = O ) C O . [C@@H] 1 ( O ) [C@@H] ( [C@H] ( O [C@H] 1 n 1 c n c 2 c ( n c n c 2 1 ) N ) C O P ( [O-] ) ( = O ) O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-] ) O | [H+] . C ( O P ( [O-] ) ( [O-] ) = O ) C ( = O ) [C@H] ( C ( [O-] ) = O ) O . O [C@H] 1 [C@@H] ( O ) [C@@H] ( O [C@@H] 1 C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] ) n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 | MIKLGVIADDFTGATDIASFLVNNGLPTVQLNGVPPSDFKVDTQAVVISLKSRSCSAEQAVADSLNALAWLQQQGCQQFYFKYCSTFDSTAKGNIGPVTDALLEQLGETQTIISPALPVNGRTVYQGHLFVMDQLLSESGMRHHPVTPMTDSNLMRVMEQQAAGQCGLVPYAVMDQGADAVKQRLAQLKEQGMRYVVLDTLNEQHLLTQGEALRDMKLVTGGSGLAIGLARQWADSTKQTSSATEAGKPQSGAGVVLSGSCSVMTNKQVAHYLKQAAGRAIDVARCLESDDAQQSYAQELADWVKAHRDDALAPLLYATSSPDELAQIQQRWGAEASSHAVEKLFAAVARQLQEDGFQRFIIAGGETSSIVVQTLGIHAFHIGPSISPGVPWVRSTTHPLSLALKSGNFGDEDFFARAQKEFAA | tensor([[ 9.1886e-02, -1.7445e-02, 3.0292e-03, 2.0296e-01, 3.5249e-02,
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[H+] . [O-] P ( = O ) ( O C C ( [C@@H] ( O ) C ( [O-] ) = O ) = O ) [O-] . [C@@H] 1 ( n 2 c n c 3 c ( n c n c 3 2 ) N ) O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( O P ( [O-] ) ( = O ) [O-] ) ( = O ) [O-] | O [C@@H] ( C ( [O-] ) = O ) C ( = O ) C O . O [C@@H] 1 [C@@H] ( [C@H] ( O [C@H] 1 n 1 c n c 2 c 1 n c n c 2 N ) C O P ( O P ( O P ( [O-] ) ( = O ) [O-] ) ( [O-] ) = O ) ( [O-] ) = O ) O | MIKLGVIADDFTGATDIASFLVNNGLPTVQLNGVPPSDFKVDTQAVVISLKSRSCSAEQAVADSLNALAWLQQQGCQQFYFKYCSTFDSTAKGNIGPVTDALLEQLGETQTIISPALPVNGRTVYQGHLFVMDQLLSESGMRHHPVTPMTDSNLMRVMEQQAAGQCGLVPYAVMDQGADAVKQRLAQLKEQGMRYVVLDTLNEQHLLTQGEALRDMKLVTGGSGLAIGLARQWADSTKQTSSATEAGKPQSGAGVVLSGSCSVMTNKQVAHYLKQAAGRAIDVARCLESDDAQQSYAQELADWVKAHRDDALAPLLYATSSPDELAQIQQRWGAEASSHAVEKLFAAVARQLQEDGFQRFIIAGGETSSIVVQTLGIHAFHIGPSISPGVPWVRSTTHPLSLALKSGNFGDEDFFARAQKEFAA | tensor([[ 9.1886e-02, -1.7445e-02, 3.0292e-03, 2.0296e-01, 3.5249e-02,
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C ( C ( = O ) [C@@H] ( O ) C ( [O-] ) = O ) O . P ( [O-] ) ( O P ( = O ) ( [O-] ) [O-] ) ( O P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) ( = O ) [O-] ) = O | [H+] . O = C ( [C@H] ( O ) C ( C O P ( = O ) ( [O-] ) [O-] ) = O ) [O-] . [C@@H] 1 ( n 2 c n c 3 c ( N ) n c n c 3 2 ) O [C@H] ( C O P ( [O-] ) ( O P ( [O-] ) ( = O ) [O-] ) = O ) [C@H] ( [C@H] 1 O ) O | MSLALGCVADDYTGASDLANTLTKAGLRTIQTIGVPEAGRALPEADAVVVALKSRSIPADQAVARSREAERWLRARGAAHVMFKVCSTFDSTDAGNIGPVMDALRADAGETVALVTPAFPETGRSVYQGNLFVGSVPLNESPLKDHPLNPMRDANLVRVLGRQSRSPVGLIDTATVARGAEAVAARLDALAQEGKGAAIADAIFDSDLEVLGRAILDRKFSVGASGLGLGLARALAADGRGTRDAAGAAVGEPVGGASACLAGSCSQATLQQVAAAEAIMPVLRLDPARLLAGDDVVAEALAFAEERLASGPVLIATSAPPEAVRALQAAHGVDAAGHAIEAALAAIAEGLVARGVRRLVVAGGETSGAVVDRLGLTAFLLGPEIAAGVPVLRTAGRPEPMLLALKSGNFGGADFFGRALDMMA | tensor([[ 1.0766e-01, -7.2963e-02, -1.3761e-01, 3.4150e-02, -1.5359e-02,
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5.3848e-02, -8.4710e-02, 5.8422e-02, -8.3313e-02, -1.5360e-02]]) |
O 1 [C@@H] ( [C@@H] ( O ) [C@@H] ( O ) [C@@H] 1 n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 ) C O P ( = O ) ( O P ( [O-] ) ( = O ) [O-] ) [O-] . [O-] C ( = O ) [C@H] ( O ) C ( C O P ( [O-] ) ( = O ) [O-] ) = O . [H+] | n 1 c n ( c 2 n c n c ( c 1 2 ) N ) [C@@H] 1 O [C@H] ( C O P ( O P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O ) ( = O ) [O-] ) [C@@H] ( O ) [C@H] 1 O . O [C@H] ( C ( = O ) C O ) C ( [O-] ) = O | MSLALGCVADDYTGASDLANTLTKAGLRTIQTIGVPEAGRALPEADAVVVALKSRSIPADQAVARSREAERWLRARGAAHVMFKVCSTFDSTDAGNIGPVMDALRADAGETVALVTPAFPETGRSVYQGNLFVGSVPLNESPLKDHPLNPMRDANLVRVLGRQSRSPVGLIDTATVARGAEAVAARLDALAQEGKGAAIADAIFDSDLEVLGRAILDRKFSVGASGLGLGLARALAADGRGTRDAAGAAVGEPVGGASACLAGSCSQATLQQVAAAEAIMPVLRLDPARLLAGDDVVAEALAFAEERLASGPVLIATSAPPEAVRALQAAHGVDAAGHAIEAALAAIAEGLVARGVRRLVVAGGETSGAVVDRLGLTAFLLGPEIAAGVPVLRTAGRPEPMLLALKSGNFGGADFFGRALDMMA | tensor([[ 1.0766e-01, -7.2963e-02, -1.3761e-01, 3.4150e-02, -1.5359e-02,
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O ( P ( = O ) ( [O-] ) [O-] ) P ( [O-] ) ( = O ) O P ( = O ) ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) [O-] . O [C@@H] ( C ( = O ) [O-] ) C ( C O ) = O | O = P ( [O-] ) ( [O-] ) O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c 1 n c n c 2 N ) O . [O-] P ( = O ) ( O C C ( = O ) [C@@H] ( O ) C ( = O ) [O-] ) [O-] . [H+] | MLKIGVIADDFTGATDIASFLVENGMPTVQINDVPTGTQPEGCDAVVISLKTRSCPAQEAIKQSLAALVWLKKQGCQQVYFKYCSTFDSTAEGNIGPVTDALMVALDTSFTVISPALPVNGRTVYQGYLFVMNHLLAESGMRHHPINPMTDSYLPRLMEAQAQGRCGVIPAQTLDEGVAATRAALSRLQQEGYRYAVLDALNERHLEIQGEVLRDAPLVTGGSGLAMGLARQWAKHGVSQARSAGYPLSGRAVVLSGSCSQMTNQQVAFYRQHAPTRDVDVARCLSSETREAYAEALAQWVLSQDSELAPMISATASTQALAAIQQQYGATEASHAVEALFSLLAARLAEGGITRFIVAGGETSGVVTQSLGITGFHIGPCISPGVPWVNALHAPVSLALKSGNFGDESFFIRAQREFQV | tensor([[ 6.9791e-02, -5.3640e-03, -2.0262e-02, 1.6043e-01, 1.2971e-02,
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[H+] . n 1 ( c 2 n c n c ( N ) c 2 n c 1 ) [C@H] 1 [C@@H] ( [C@@H] ( [C@H] ( O 1 ) C O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) [O-] ) O ) O . [O-] P ( = O ) ( [O-] ) O C C ( = O ) [C@H] ( C ( = O ) [O-] ) O | O = C ( [O-] ) [C@@H] ( C ( C O ) = O ) O . n 1 ( [C@H] 2 [C@H] ( O ) [C@@H] ( [C@H] ( O 2 ) C O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) O P ( [O-] ) ( = O ) [O-] ) O ) c n c 2 c 1 n c n c 2 N | MLKIGVIADDFTGATDIASFLVENGMPTVQINDVPTGTQPEGCDAVVISLKTRSCPAQEAIKQSLAALVWLKKQGCQQVYFKYCSTFDSTAEGNIGPVTDALMVALDTSFTVISPALPVNGRTVYQGYLFVMNHLLAESGMRHHPINPMTDSYLPRLMEAQAQGRCGVIPAQTLDEGVAATRAALSRLQQEGYRYAVLDALNERHLEIQGEVLRDAPLVTGGSGLAMGLARQWAKHGVSQARSAGYPLSGRAVVLSGSCSQMTNQQVAFYRQHAPTRDVDVARCLSSETREAYAEALAQWVLSQDSELAPMISATASTQALAAIQQQYGATEASHAVEALFSLLAARLAEGGITRFIVAGGETSGVVTQSLGITGFHIGPCISPGVPWVNALHAPVSLALKSGNFGDESFFIRAQREFQV | tensor([[ 6.9791e-02, -5.3640e-03, -2.0262e-02, 1.6043e-01, 1.2971e-02,
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[C@@H] ( O ) ( C ( = O ) C O ) C ( = O ) [O-] . O ( P ( = O ) ( [O-] ) O P ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) O ) ( = O ) [O-] ) P ( [O-] ) ( [O-] ) = O | [H+] . O = P ( O C [C@H] 1 O [C@@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) [C@H] ( O ) [C@@H] 1 O ) ( O P ( [O-] ) ( = O ) [O-] ) [O-] . O = C ( [C@@H] ( C ( C O P ( = O ) ( [O-] ) [O-] ) = O ) O ) [O-] | MPASNFPTGVHDMRLGVIADDFTGATDIAGFLVGNGLRTIQLNGVPADDLAVDADAVVISLKARSCPTGQAIAESLAALKWLQKNNCQQFFFKYCSTFDSTPKGNIGPVTDALLEALGEEFTVICPALPVNGRTIYNGYLFVNGVLLSETGMRNHPVTPMTDSNIMRVMESQSRGRAGNISSTIVDQGSDAVRDALRKLQSEGIRYAVLDALNDQHIETLGRAVSQMKLVTGGSGLADGMARAWTQLRGKNVAAAEAAGAPVKGRTVILSGSCSQMTNAQVAAYKAKAPALAMDVEKAINDAAYIDVLAEWVLAQSGDALPPLVYATMPPEALKAVQERFGGERASAAIEDLFGQLAKRLEAEGFTRFIVAGGETSGAVTQALAIDGFTIGPQIAPGVPWVRGIGKPLSLALKSGNFGTEAFFFEAQKIANQEGDK | tensor([[ 8.4201e-02, -5.8980e-02, -3.0639e-02, 7.6695e-02, 2.7211e-02,
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N c 1 c 2 c ( n c n 1 ) n ( [C@H] 1 [C@H] ( O ) [C@@H] ( [C@H] ( O 1 ) C O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-] ) O ) c n 2 . [O-] P ( O C C ( = O ) [C@H] ( C ( [O-] ) = O ) O ) ( [O-] ) = O . [H+] | O [C@H] ( C ( = O ) C O ) C ( = O ) [O-] . P ( = O ) ( [O-] ) ( [O-] ) O P ( [O-] ) ( = O ) O P ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c n c 2 c 1 n c n c 2 N ) ( = O ) [O-] | MPASNFPTGVHDMRLGVIADDFTGATDIAGFLVGNGLRTIQLNGVPADDLAVDADAVVISLKARSCPTGQAIAESLAALKWLQKNNCQQFFFKYCSTFDSTPKGNIGPVTDALLEALGEEFTVICPALPVNGRTIYNGYLFVNGVLLSETGMRNHPVTPMTDSNIMRVMESQSRGRAGNISSTIVDQGSDAVRDALRKLQSEGIRYAVLDALNDQHIETLGRAVSQMKLVTGGSGLADGMARAWTQLRGKNVAAAEAAGAPVKGRTVILSGSCSQMTNAQVAAYKAKAPALAMDVEKAINDAAYIDVLAEWVLAQSGDALPPLVYATMPPEALKAVQERFGGERASAAIEDLFGQLAKRLEAEGFTRFIVAGGETSGAVTQALAIDGFTIGPQIAPGVPWVRGIGKPLSLALKSGNFGTEAFFFEAQKIANQEGDK | tensor([[ 8.4201e-02, -5.8980e-02, -3.0639e-02, 7.6695e-02, 2.7211e-02,
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C ( [O-] ) ( = O ) [C@H] ( O ) C ( = O ) C O . O [C@@H] 1 [C@@H] ( C O P ( = O ) ( O P ( O P ( [O-] ) ( [O-] ) = O ) ( [O-] ) = O ) [O-] ) O [C@H] ( [C@@H] 1 O ) n 1 c n c 2 c ( N ) n c n c 1 2 | [C@@H] 1 ( [C@H] ( O ) [C@H] ( O ) [C@@H] ( C O P ( O P ( [O-] ) ( [O-] ) = O ) ( [O-] ) = O ) O 1 ) n 1 c 2 n c n c ( c 2 n c 1 ) N . O = P ( O C C ( [C@@H] ( O ) C ( [O-] ) = O ) = O ) ( [O-] ) [O-] . [H+] | MIKLGVIADDFTGATDIASFLVNNGLPTVQLNGVPPSDFKVDTQAVVISLKSRSCSAEQAVADSLNALAWLQQQGCQQFYFKYCSTFDSTAKGNIGPVTDALLEQLGETQTIISPALPVNGRTVYQGHLFVMDQLLSESGMRHHPVTPMTDSNLMRVMEQQAAGQCGLVPYAVMDQGADAVKQRLAQLKEQGMRYVVLDTLNEQHLLTQGEALRDMKLVTGGSGLAIGLARQWADSTKQTSSATEAGKPQSGAGVVLSGSCSVMTNKQVAHYLKQAAGRAIDVARCLESDDAQQSYAQELADWVKAHRDDALAPLLYATSSPDELAQIQQRWGAEASSHAVEKLFAAVARQLQEDGFQRFIIAGGETSSIVVQTLGIHAFHIGPSISPGVPWVRSTTHPLSLALKSGNFGDEDFFARAQKEFAA | tensor([[ 9.1886e-02, -1.7445e-02, 3.0292e-03, 2.0296e-01, 3.5249e-02,
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[O-] P ( O C [C@@H] 1 [C@H] ( [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c ( N ) n c n c 2 1 ) O ) ( O P ( = O ) ( [O-] ) [O-] ) = O . O = C ( [O-] ) [C@@H] ( C ( C O P ( = O ) ( [O-] ) [O-] ) = O ) O . [H+] | C ( O ) C ( = O ) [C@@H] ( O ) C ( [O-] ) = O . O = P ( O P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) [O-] ) ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c n c 3 c 2 n c n c 3 N ) O 1 ) O ) [O-] | MIKLGVIADDFTGATDIASFLVNNGLPTVQLNGVPPSDFKVDTQAVVISLKSRSCSAEQAVADSLNALAWLQQQGCQQFYFKYCSTFDSTAKGNIGPVTDALLEQLGETQTIISPALPVNGRTVYQGHLFVMDQLLSESGMRHHPVTPMTDSNLMRVMEQQAAGQCGLVPYAVMDQGADAVKQRLAQLKEQGMRYVVLDTLNEQHLLTQGEALRDMKLVTGGSGLAIGLARQWADSTKQTSSATEAGKPQSGAGVVLSGSCSVMTNKQVAHYLKQAAGRAIDVARCLESDDAQQSYAQELADWVKAHRDDALAPLLYATSSPDELAQIQQRWGAEASSHAVEKLFAAVARQLQEDGFQRFIIAGGETSSIVVQTLGIHAFHIGPSISPGVPWVRSTTHPLSLALKSGNFGDEDFFARAQKEFAA | tensor([[ 9.1886e-02, -1.7445e-02, 3.0292e-03, 2.0296e-01, 3.5249e-02,
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C ( O ) C ( [C@H] ( C ( [O-] ) = O ) O ) = O . c 1 ( N ) c 2 c ( n ( [C@H] 3 [C@@H] ( [C@@H] ( [C@@H] ( C O P ( = O ) ( O P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) = O ) [O-] ) O 3 ) O ) O ) c n 2 ) n c n 1 | c 1 n c 2 c ( c ( n 1 ) N ) n c n 2 [C@H] 1 [C@H] ( O ) [C@@H] ( [C@@H] ( C O P ( O P ( [O-] ) ( [O-] ) = O ) ( = O ) [O-] ) O 1 ) O . O = C ( [O-] ) [C@@H] ( C ( C O P ( [O-] ) ( = O ) [O-] ) = O ) O . [H+] | MSLALGCVADDYTGASDLANTLTKAGLRTIQTIGVPEAGRALPEADAVVVALKSRSIPADQAVARSREAERWLRARGAAHVMFKVCSTFDSTDAGNIGPVMDALRADAGETVALVTPAFPETGRSVYQGNLFVGSVPLNESPLKDHPLNPMRDANLVRVLGRQSRSPVGLIDTATVARGAEAVAARLDALAQEGKGAAIADAIFDSDLEVLGRAILDRKFSVGASGLGLGLARALAADGRGTRDAAGAAVGEPVGGASACLAGSCSQATLQQVAAAEAIMPVLRLDPARLLAGDDVVAEALAFAEERLASGPVLIATSAPPEAVRALQAAHGVDAAGHAIEAALAAIAEGLVARGVRRLVVAGGETSGAVVDRLGLTAFLLGPEIAAGVPVLRTAGRPEPMLLALKSGNFGGADFFGRALDMMA | tensor([[ 1.0766e-01, -7.2963e-02, -1.3761e-01, 3.4150e-02, -1.5359e-02,
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n 1 c n c 2 c ( c 1 N ) n c n 2 [C@@H] 1 O [C@H] ( C O P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) = O ) [C@@H] ( O ) [C@H] 1 O . [H+] . P ( = O ) ( [O-] ) ( O C C ( [C@H] ( C ( = O ) [O-] ) O ) = O ) [O-] | O C C ( [C@@H] ( O ) C ( = O ) [O-] ) = O . P ( O P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O ) ( O C [C@@H] 1 [C@H] ( [C@H] ( [C@H] ( n 2 c n c 3 c ( n c n c 2 3 ) N ) O 1 ) O ) O ) ( = O ) [O-] | MSLALGCVADDYTGASDLANTLTKAGLRTIQTIGVPEAGRALPEADAVVVALKSRSIPADQAVARSREAERWLRARGAAHVMFKVCSTFDSTDAGNIGPVMDALRADAGETVALVTPAFPETGRSVYQGNLFVGSVPLNESPLKDHPLNPMRDANLVRVLGRQSRSPVGLIDTATVARGAEAVAARLDALAQEGKGAAIADAIFDSDLEVLGRAILDRKFSVGASGLGLGLARALAADGRGTRDAAGAAVGEPVGGASACLAGSCSQATLQQVAAAEAIMPVLRLDPARLLAGDDVVAEALAFAEERLASGPVLIATSAPPEAVRALQAAHGVDAAGHAIEAALAAIAEGLVARGVRRLVVAGGETSGAVVDRLGLTAFLLGPEIAAGVPVLRTAGRPEPMLLALKSGNFGGADFFGRALDMMA | tensor([[ 1.0766e-01, -7.2963e-02, -1.3761e-01, 3.4150e-02, -1.5359e-02,
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5.3848e-02, -8.4710e-02, 5.8422e-02, -8.3313e-02, -1.5360e-02]]) |
O [C@@H] ( C ( [O-] ) = O ) C ( = O ) C O . [C@H] 1 ( O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( O P ( = O ) ( O P ( = O ) ( [O-] ) [O-] ) [O-] ) ( [O-] ) = O ) n 1 c 2 c ( c ( n c n 2 ) N ) n c 1 | O ( P ( = O ) ( [O-] ) [O-] ) P ( O C [C@H] 1 O [C@@H] ( n 2 c 3 c ( c ( n c n 3 ) N ) n c 2 ) [C@@H] ( [C@@H] 1 O ) O ) ( = O ) [O-] . [H+] . [O-] C ( [C@@H] ( C ( C O P ( [O-] ) ( = O ) [O-] ) = O ) O ) = O | MTAGTLAHRPLLGCIADDFTGATDLANTLVRNGMRTVQTIGLPDVGAVQDIGEADALVVALKSRTIPAVEAVAQSLAALQWLRAQGCRQFVFKYCSTFDSTDAGNIGPVAEALLAALDSDFTIACPAFPENGRTIFRGHLFVGDALLNESGMEHHPLTPMTDASLVRVLQRQSKNKVGLLRYDAVARGAHATAERIAALRSDGVRMAIADAVSDADLFTLGEACANLPLITGGSGIALGLPENFRRAGLLPQRGDAASVPAIDGPGVVLAGSASRATNGQVARWLEQGRPALRIDPLALARGEAVADAALAFAAGHGEPVLIYATSSPDEVKAVQAELGVERAGHLVEQCLATVAAGLLARGTRRFVVAGGETSGAVVQALGVRALRIGAQIAPGVPATVTLDAKPLALALKSGNFGGPDFFDEALRQLGGH | tensor([[ 1.5153e-01, -3.5409e-02, -1.1622e-01, 1.0008e-01, -7.0722e-03,
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O ( P ( [O-] ) ( [O-] ) = O ) C C ( = O ) [C@@H] ( O ) C ( [O-] ) = O . c 1 2 n c n ( [C@@H] 3 O [C@H] ( C O P ( = O ) ( O P ( [O-] ) ( [O-] ) = O ) [O-] ) [C@@H] ( O ) [C@H] 3 O ) c 2 n c n c 1 N . [H+] | [O-] P ( O P ( = O ) ( O P ( = O ) ( [O-] ) O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@H] ( n 2 c n c 3 c ( N ) n c n c 3 2 ) O 1 ) O ) [O-] ) ( = O ) [O-] . C ( O ) C ( = O ) [C@@H] ( O ) C ( [O-] ) = O | MTAGTLAHRPLLGCIADDFTGATDLANTLVRNGMRTVQTIGLPDVGAVQDIGEADALVVALKSRTIPAVEAVAQSLAALQWLRAQGCRQFVFKYCSTFDSTDAGNIGPVAEALLAALDSDFTIACPAFPENGRTIFRGHLFVGDALLNESGMEHHPLTPMTDASLVRVLQRQSKNKVGLLRYDAVARGAHATAERIAALRSDGVRMAIADAVSDADLFTLGEACANLPLITGGSGIALGLPENFRRAGLLPQRGDAASVPAIDGPGVVLAGSASRATNGQVARWLEQGRPALRIDPLALARGEAVADAALAFAAGHGEPVLIYATSSPDEVKAVQAELGVERAGHLVEQCLATVAAGLLARGTRRFVVAGGETSGAVVQALGVRALRIGAQIAPGVPATVTLDAKPLALALKSGNFGGPDFFDEALRQLGGH | tensor([[ 1.5153e-01, -3.5409e-02, -1.1622e-01, 1.0008e-01, -7.0722e-03,
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O [C@@H] 1 [C@@H] ( C O P ( = O ) ( [O-] ) O P ( [O-] ) ( O P ( = O ) ( [O-] ) [O-] ) = O ) O [C@@H] ( n 2 c 3 c ( n c 2 ) c ( N ) n c n 3 ) [C@@H] 1 O . [C@H] ( C ( C O ) = O ) ( O ) C ( = O ) [O-] | [O-] P ( O C C ( [C@@H] ( O ) C ( = O ) [O-] ) = O ) ( = O ) [O-] . O [C@@H] 1 [C@@H] ( [C@H] ( O [C@H] 1 n 1 c 2 n c n c ( c 2 n c 1 ) N ) C O P ( [O-] ) ( = O ) O P ( [O-] ) ( = O ) [O-] ) O . [H+] | MPASNFPTGVHDMRLGVIADDFTGATDIAGFLVGNGLRTIQLNGVPADDLAVDADAVVISLKARSCPTGQAIAESLAALKWLQKNNCQQFFFKYCSTFDSTPKGNIGPVTDALLEALGEEFTVICPALPVNGRTIYNGYLFVNGVLLSETGMRNHPVTPMTDSNIMRVMESQSRGRAGNISSTIVDQGSDAVRDALRKLQSEGIRYAVLDALNDQHIETLGRAVSQMKLVTGGSGLADGMARAWTQLRGKNVAAAEAAGAPVKGRTVILSGSCSQMTNAQVAAYKAKAPALAMDVEKAINDAAYIDVLAEWVLAQSGDALPPLVYATMPPEALKAVQERFGGERASAAIEDLFGQLAKRLEAEGFTRFIVAGGETSGAVTQALAIDGFTIGPQIAPGVPWVRGIGKPLSLALKSGNFGTEAFFFEAQKIANQEGDK | tensor([[ 8.4201e-02, -5.8980e-02, -3.0639e-02, 7.6695e-02, 2.7211e-02,
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C ( = O ) ( [O-] ) [C@H] ( O ) C ( C O P ( [O-] ) ( [O-] ) = O ) = O . [H+] . [C@H] 1 ( O ) [C@@H] ( O ) [C@@H] ( O [C@@H] 1 C O P ( [O-] ) ( O P ( [O-] ) ( [O-] ) = O ) = O ) n 1 c n c 2 c 1 n c n c 2 N | P ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) n 1 c n c 2 c ( n c n c 2 1 ) N ) ( [O-] ) ( O P ( = O ) ( [O-] ) O P ( = O ) ( [O-] ) [O-] ) = O . O = C ( [C@H] ( C ( = O ) [O-] ) O ) C O | MPASNFPTGVHDMRLGVIADDFTGATDIAGFLVGNGLRTIQLNGVPADDLAVDADAVVISLKARSCPTGQAIAESLAALKWLQKNNCQQFFFKYCSTFDSTPKGNIGPVTDALLEALGEEFTVICPALPVNGRTIYNGYLFVNGVLLSETGMRNHPVTPMTDSNIMRVMESQSRGRAGNISSTIVDQGSDAVRDALRKLQSEGIRYAVLDALNDQHIETLGRAVSQMKLVTGGSGLADGMARAWTQLRGKNVAAAEAAGAPVKGRTVILSGSCSQMTNAQVAAYKAKAPALAMDVEKAINDAAYIDVLAEWVLAQSGDALPPLVYATMPPEALKAVQERFGGERASAAIEDLFGQLAKRLEAEGFTRFIVAGGETSGAVTQALAIDGFTIGPQIAPGVPWVRGIGKPLSLALKSGNFGTEAFFFEAQKIANQEGDK | tensor([[ 8.4201e-02, -5.8980e-02, -3.0639e-02, 7.6695e-02, 2.7211e-02,
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O 1 [C@@H] ( [C@@H] ( O ) [C@@H] ( O ) [C@@H] 1 n 1 c 2 c ( c ( N ) n c n 2 ) n c 1 ) C O P ( O P ( O P ( = O ) ( [O-] ) [O-] ) ( [O-] ) = O ) ( = O ) [O-] . [O-] C ( = O ) [C@@H] ( C ( = O ) C O ) O | C ( = O ) ( [C@@H] ( O ) C ( [O-] ) = O ) C O P ( = O ) ( [O-] ) [O-] . [H+] . [O-] P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 n c n c ( c 2 n c 1 ) N ) ( = O ) O P ( = O ) ( [O-] ) [O-] | MLKIGVIADDFTGATDIASFLVENGMPTVQINDVPTGTQPEGCDAVVISLKTRSCPAQEAIKQSLAALVWLKKQGCQQVYFKYCSTFDSTAEGNIGPVTDALMVALDTSFTVISPALPVNGRTVYQGYLFVMNHLLAESGMRHHPINPMTDSYLPRLMEAQAQGRCGVIPAQTLDEGVAATRAALSRLQQEGYRYAVLDALNERHLEIQGEVLRDAPLVTGGSGLAMGLARQWAKHGVSQARSAGYPLSGRAVVLSGSCSQMTNQQVAFYRQHAPTRDVDVARCLSSETREAYAEALAQWVLSQDSELAPMISATASTQALAAIQQQYGATEASHAVEALFSLLAARLAEGGITRFIVAGGETSGVVTQSLGITGFHIGPCISPGVPWVNALHAPVSLALKSGNFGDESFFIRAQREFQV | tensor([[ 6.9791e-02, -5.3640e-03, -2.0262e-02, 1.6043e-01, 1.2971e-02,
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[H+] . O = P ( O C C ( = O ) [C@H] ( C ( = O ) [O-] ) O ) ( [O-] ) [O-] . n 1 c n c 2 c ( c 1 N ) n c n 2 [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@H] ( O 1 ) C O P ( O P ( = O ) ( [O-] ) [O-] ) ( = O ) [O-] | O C C ( = O ) [C@@H] ( O ) C ( [O-] ) = O . [O-] P ( [O-] ) ( = O ) O P ( = O ) ( [O-] ) O P ( = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@H] ( n 2 c 3 c ( c ( n c n 3 ) N ) n c 2 ) O 1 ) [O-] | MLKIGVIADDFTGATDIASFLVENGMPTVQINDVPTGTQPEGCDAVVISLKTRSCPAQEAIKQSLAALVWLKKQGCQQVYFKYCSTFDSTAEGNIGPVTDALMVALDTSFTVISPALPVNGRTVYQGYLFVMNHLLAESGMRHHPINPMTDSYLPRLMEAQAQGRCGVIPAQTLDEGVAATRAALSRLQQEGYRYAVLDALNERHLEIQGEVLRDAPLVTGGSGLAMGLARQWAKHGVSQARSAGYPLSGRAVVLSGSCSQMTNQQVAFYRQHAPTRDVDVARCLSSETREAYAEALAQWVLSQDSELAPMISATASTQALAAIQQQYGATEASHAVEALFSLLAARLAEGGITRFIVAGGETSGVVTQSLGITGFHIGPCISPGVPWVNALHAPVSLALKSGNFGDESFFIRAQREFQV | tensor([[ 6.9791e-02, -5.3640e-03, -2.0262e-02, 1.6043e-01, 1.2971e-02,
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[C@@H] 1 ( O [C@@H] ( n 2 c 3 n c n c ( N ) c 3 n c 2 ) [C@@H] ( [C@@H] 1 O ) O ) C O P ( = O ) ( O P ( [O-] ) ( O C [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) [n+] 1 c c ( c c c 1 ) C ( = O ) N ) = O ) [O-] . C ( C ( [NH3+] ) C ) ( O ) C . O | [NH4+] . [H+] . O C ( C ) C ( C ) = O . c 1 n c ( c 2 c ( n 1 ) n ( [C@H] 1 [C@H] ( O ) [C@H] ( O ) [C@@H] ( C O P ( = O ) ( O P ( = O ) ( [O-] ) O C [C@@H] 3 [C@H] ( [C@@H] ( O ) [C@H] ( N 4 C = C ( C ( N ) = O ) C C = C 4 ) O 3 ) O ) [O-] ) O 1 ) c n 2 ) N | MISTVVWGTGNVGRLAIRAVEAHPALQLCAVIVHNPAKVGRDAGELGELDRLLGVEATDDIEAVLAARPRAVVYAASGDVRPDEALADITRAVRSGAVVVSPALYPLYDHRNAPPEFRDPVLAAVTEGGGSLFASGVDPGWGNDVLPLLLSGLGTTIDVIRCQEIFDYSTYDQPDSVRYLVGMGQPMDYEPMMLMPSIPTMVWGGQIRMMARALGVELDEIRETSDRRALDTTVTTRTMGEFGAGTQGAIRFEVQGIVEGEPRIVIEHVTRIHPSCAPDWPVPPDGGDGAHRVVIEGRPRIEVTIEATDEGENRSAGGNATAVGRLVGAIDWLVEAEPGLYDALDIPLRPAIGRLGRKQS | tensor([[ 1.7948e-01, -4.1355e-02, -2.3033e-02, 5.2013e-02, -6.9121e-02,
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[H+] . [NH4+] . C ( O P ( = O ) ( O P ( [O-] ) ( O C [C@H] 1 O [C@H] ( [C@@H] ( [C@@H] 1 O ) O ) N 1 C = C ( C ( = O ) N ) C C = C 1 ) = O ) [O-] ) [C@@H] 1 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 1 ) n 1 c n c 2 c ( n c n c 1 2 ) N . C C ( C ( O ) C ) = O | O C ( C ) C ( C ) [NH3+] . O . n 1 c n c ( c 2 n c n ( [C@H] 3 [C@@H] ( [C@H] ( O ) [C@H] ( O 3 ) C O P ( [O-] ) ( = O ) O P ( O C [C@@H] 3 [C@@H] ( O ) [C@@H] ( O ) [C@@H] ( O 3 ) [n+] 3 c c c c ( C ( N ) = O ) c 3 ) ( = O ) [O-] ) O ) c 1 2 ) N | MISTVVWGTGNVGRLAIRAVEAHPALQLCAVIVHNPAKVGRDAGELGELDRLLGVEATDDIEAVLAARPRAVVYAASGDVRPDEALADITRAVRSGAVVVSPALYPLYDHRNAPPEFRDPVLAAVTEGGGSLFASGVDPGWGNDVLPLLLSGLGTTIDVIRCQEIFDYSTYDQPDSVRYLVGMGQPMDYEPMMLMPSIPTMVWGGQIRMMARALGVELDEIRETSDRRALDTTVTTRTMGEFGAGTQGAIRFEVQGIVEGEPRIVIEHVTRIHPSCAPDWPVPPDGGDGAHRVVIEGRPRIEVTIEATDEGENRSAGGNATAVGRLVGAIDWLVEAEPGLYDALDIPLRPAIGRLGRKQS | tensor([[ 1.7948e-01, -4.1355e-02, -2.3033e-02, 5.2013e-02, -6.9121e-02,
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C C ( O ) C ( C ) [NH3+] . O . c 1 c [n+] ( c c ( C ( = O ) N ) c 1 ) [C@H] 1 [C@@H] ( [C@H] ( O ) [C@@H] ( C O P ( = O ) ( O P ( [O-] ) ( = O ) O C [C@@H] 2 [C@H] ( [C@@H] ( O ) [C@H] ( n 3 c 4 n c n c ( N ) c 4 n c 3 ) O 2 ) O ) [O-] ) O 1 ) O | [H+] . [NH4+] . c 1 ( n c n c 2 n ( c n c 2 1 ) [C@@H] 1 O [C@@H] ( [C@H] ( [C@H] 1 O ) O ) C O P ( = O ) ( O P ( O C [C@H] 1 O [C@@H] ( N 2 C = C C C ( = C 2 ) C ( = O ) N ) [C@@H] ( [C@@H] 1 O ) O ) ( [O-] ) = O ) [O-] ) N . C C ( C ( O ) C ) = O | MISTVVWGTGNVGRLAIRAVEAHPALQLCAVIVHNPAKVGRDAGELGELDRLLGVEATDDIEAVLAARPRAVVYAASGDVRPDEALADITRAVRSGAVVVSPALYPLYDHRNAPPEFRDPVLAAVTEGGGSLFASGVDPGWGNDVLPLLLSGLGTTIDVIRCQEIFDYSTYDQPDSVRYLVGMGQPMDYEPMMLMPSIPTMVWGGQIRMMARALGVELDEIRETSDRRALDTTVTTRTMGEFGAGTQGAIRFEVQGIVEGEPRIVIEHVTRIHPSCAPDWPVPPDGGDGAHRVVIEGRPRIEVTIEATDEGENRSAGGNATAVGRLVGAIDWLVEAEPGLYDALDIPLRPAIGRLGRKQS | tensor([[ 1.7948e-01, -4.1355e-02, -2.3033e-02, 5.2013e-02, -6.9121e-02,
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[H+] . C C ( C ( C ) = O ) O . [NH4+] . n 1 c 2 c ( n ( [C@@H] 3 O [C@H] ( C O P ( O P ( = O ) ( [O-] ) O C [C@H] 4 O [C@@H] ( N 5 C = C C C ( = C 5 ) C ( N ) = O ) [C@@H] ( [C@@H] 4 O ) O ) ( [O-] ) = O ) [C@@H] ( O ) [C@H] 3 O ) c 1 ) n c n c 2 N | C ( C ) ( [NH3+] ) C ( C ) O . O . [O-] P ( O P ( O C [C@H] 1 O [C@H] ( [C@H] ( O ) [C@@H] 1 O ) n 1 c 2 c ( n c 1 ) c ( N ) n c n 2 ) ( [O-] ) = O ) ( O C [C@@H] 1 [C@@H] ( O ) [C@H] ( [C@@H] ( O 1 ) [n+] 1 c c c c ( c 1 ) C ( N ) = O ) O ) = O | MISTVVWGTGNVGRLAIRAVEAHPALQLCAVIVHNPAKVGRDAGELGELDRLLGVEATDDIEAVLAARPRAVVYAASGDVRPDEALADITRAVRSGAVVVSPALYPLYDHRNAPPEFRDPVLAAVTEGGGSLFASGVDPGWGNDVLPLLLSGLGTTIDVIRCQEIFDYSTYDQPDSVRYLVGMGQPMDYEPMMLMPSIPTMVWGGQIRMMARALGVELDEIRETSDRRALDTTVTTRTMGEFGAGTQGAIRFEVQGIVEGEPRIVIEHVTRIHPSCAPDWPVPPDGGDGAHRVVIEGRPRIEVTIEATDEGENRSAGGNATAVGRLVGAIDWLVEAEPGLYDALDIPLRPAIGRLGRKQS | tensor([[ 1.7948e-01, -4.1355e-02, -2.3033e-02, 5.2013e-02, -6.9121e-02,
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1.0463e-02, 3.7840e-02, -1.5268e-01, 7.7582e-02, 1.4584e-01,
-1.2239e-01, 6.6333e-02, -6.5086e-02, -3.6443e-02, 6.1988e-02,
6.1349e-04, 1.9733e-01, -5.3941e-02, -9.2371e-02, 1.3768e-01,
-5.1703e-02, 2.0489e-01, -1.6465e-01, -6.3924e-02, 9.3663e-02,
-1.0864e-01, -6.0382e-02, 1.8069e-01, 4.6892e-02, -6.8233e-02,
1.3519e-02, -2.6056e-02, -6.1645e-03, 2.5445e-01, 9.3913e-02,
1.0474e-01, 1.1011e-02, 1.7507e-01, -4.5481e-02, 1.0058e-01,
2.2154e-02, 7.5466e-02, -5.2358e-02, -2.0397e-02, 4.1062e-02,
-2.2372e-02, 1.1196e-01, -3.2253e-02, -2.4429e-01, -1.8621e-01,
3.5964e-02, 6.1537e-03, 2.8468e-02, 8.4186e-02, 8.9599e-02,
4.8310e-02, -6.0891e-02, -1.1281e-01, -8.0882e-02, 1.0437e-02,
-6.6275e-02, 2.9450e-04, -1.0408e-01, -8.2016e-02, -8.9692e-02,
4.5624e-02, 2.9633e-02, -3.7516e-02, -8.7354e-02, -1.2339e-01,
1.3865e-01, -1.4148e-01, -4.4232e-03, 1.6286e-01, 7.7362e-02,
1.2917e-02, -2.6216e-02, -3.1464e-02, -9.0766e-02, -1.4059e-01,
-4.3744e-02, -1.4952e-01, 7.3600e-02, 2.3887e-02, -6.2538e-03,
5.8008e-02, -5.9730e-02, 5.1028e-02, -1.9306e-02, -1.1818e-01,
-1.1402e-01, 3.5345e-02, -6.1547e-02, -1.3150e-01, 1.0745e-02,
-6.4487e-02, -1.4413e-01, -1.8596e-01, -9.4660e-02, -5.7019e-02,
2.5327e-02, 9.8079e-02, 5.2907e-02, -1.7345e-04, 7.4063e-02,
1.7110e-02, 1.6557e-01, -1.3265e-01, 1.5103e-01, -2.5587e-02,
2.3917e-01, -2.7517e-02, -4.5496e-02, 2.9804e-03, -1.0699e-01,
-4.3311e-02, -7.4890e-02, 2.1896e-02, -2.6382e-02, 1.3978e-02,
-3.5079e-02, -1.7090e-02, -9.6960e-02, -7.7553e-02, -5.4699e-02,
1.3102e-01, -3.4136e-02, -1.0395e-01, 1.8600e-02, 6.6453e-02,
1.7095e-01, -2.9669e-02, 4.7649e-02, -1.2715e-01, -6.6342e-02,
-1.9847e-05, -4.5129e-02, 6.2732e-02, -2.3401e-02, 1.1333e-01,
1.0541e-01, -1.6773e-01, -3.9433e-01, 3.2087e-01, -6.5364e-02,
-1.0907e+00, -2.6689e-02, -2.3515e-02, -1.8668e-01, 2.3081e-01,
-1.1920e-01, 9.4572e-02, -1.0355e-01, 1.0425e-01, 1.5737e-01,
-1.0776e-01, -1.9263e-03, -2.2773e-02, 1.8344e-01, 1.3852e-01,
-1.4961e-01, -2.8587e-02, 1.0168e-01, 1.4709e-01, 6.1252e-02]]) |
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