Datasets:

dzjxzyd

/

new_ppic_large_embed

like 0

[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

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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

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-1.0367e-02, 1.2858e-02, 6.2366e-02, 1.0283e-04, -3.6256e-02, -1.0800e-02, 5.8024e-03, -1.8197e-01, -7.8534e-02, 5.5853e-02, 4.5423e-02, -2.3385e-02, -9.6222e-02, -2.2621e-02, 1.0126e-02, -3.0560e-02, -1.7064e-04, -1.9955e-02, 1.5683e-02, 1.0481e-01, -1.7631e-02, 1.8920e-02, 2.3976e-02, -1.3054e-01, 6.0816e-02, -1.4133e-01, -1.4884e-01, -1.2484e-01, 7.1263e-02, -4.3555e-02, -1.0345e-02, 9.3958e-02, -1.7063e-02, -4.8218e-02, -3.8085e-02, -3.1625e-02, -5.0984e-02, -4.7947e-02, -1.5320e-01, -6.5170e-02, -1.2950e-01, 1.0659e-01, -6.3141e-02, 1.9885e-01, 9.7697e-02, -5.6668e-02, -9.3631e-03, 1.1166e-01, 6.8162e-02, -4.8764e-02, 1.2567e-01, -8.1042e-02, 5.5739e-02, -8.7103e-02, -2.2566e-02, 7.3090e-02, 1.6470e-01, 1.0360e-01, 9.9392e-02, -2.0318e-01, -2.2101e-01, 2.8774e-01, 7.0032e-02, -6.6586e-01, -9.9205e-02, -1.2694e-01, -1.2404e-01, 2.2154e-01, -2.7167e-01, 3.6631e-02, -4.0380e-02, 1.1688e-01, 1.8039e-01, -1.3991e-02, -5.3423e-02, 1.0614e-01, 1.4059e-01, 8.9267e-02, 8.6305e-03, -4.8823e-02, 3.7642e-02, -7.7873e-02, -7.4858e-02]])

[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

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-3.0533e-02, -1.0579e-01, -1.7098e-01]])

[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

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-3.0533e-02, -1.0579e-01, -1.7098e-01]])

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

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-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

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-8.4710e-02, 5.8422e-02, -8.3313e-02, -1.5360e-02]])

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

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-2.1850e-02, -1.1607e-01, -1.4993e-01]])

[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

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-6.4828e-02, -5.3734e-02, 1.1333e-01, -2.9743e-02, -2.3672e-01, 6.4516e-03, 6.7807e-02, 1.3799e-01, 5.8019e-02, 3.5224e-03, 2.4607e-03, -1.1552e-03, -8.9329e-02, 1.5154e-01, 1.3698e-02, -1.7501e-01, 1.3308e-01, 2.2051e-02, 1.1942e-02, 2.6235e-02, 2.6543e-03, 3.2816e-02, 2.9232e-02, 5.8942e-02, 5.9155e-02, 1.8113e-02, -1.1504e-01, 6.3367e-02, 1.0289e-01, 1.0087e-01, 2.5425e-01, 3.8404e-02, -8.5311e-02, 1.1667e-01, 3.8429e-02, -1.0399e-01, 1.1251e-01, -6.0658e-02, -1.5204e-01, 4.7275e-02, -1.8583e-02, 2.9537e-02, 1.6473e-02, -6.4874e-02, 6.0452e-02, -9.5197e-02, -1.2120e-01, 7.0362e-02, 1.2792e-01, 1.4943e-01, 5.5237e-02, 1.7935e-01, 7.2611e-02, -2.5170e-01, -1.2375e-01, -1.7649e-01, 3.9522e-02, 2.2653e-02, -7.9201e-02, -7.9761e-03, -5.4267e-02, -1.5443e-01, -6.0637e-03, -2.2081e-02, 8.4566e-02, -2.6444e-02, -5.3987e-02, 7.2063e-02, 4.0679e-02, -7.6146e-02, 3.8883e-02, 6.3474e-03, -2.6725e-02, -5.3654e-02, -1.0730e-01, -9.8924e-03, -1.4730e-01, -1.5190e-01, -1.6453e-02, -7.4122e-02, 5.7778e-02, 4.2557e-02, 3.3477e-02, 2.3826e-02, -2.3006e-02, 5.2956e-02, -1.3376e-01, -1.1260e-01, 1.2145e-01, 6.3511e-02, -9.6095e-03, -1.0364e-01, -3.4148e-02, 7.0737e-02, -9.7939e-03, -2.3023e-02, -5.4968e-02, 1.2993e-02, 6.1672e-02, -6.5637e-02, -3.3883e-02, 6.0752e-02, -1.1250e-01, -2.3775e-02, -1.1751e-01, -1.7663e-01, -1.3281e-01, 7.0390e-02, -4.3569e-02, -5.4684e-02, 5.4801e-02, 6.5317e-02, -7.4326e-02, -5.7974e-02, -4.5748e-02, 2.0847e-02, 2.3543e-02, -1.9231e-01, -7.3048e-02, -1.5496e-01, 1.1728e-01, -7.0794e-02, 1.3632e-01, 4.0052e-02, -1.8379e-02, 6.9506e-02, 1.6112e-01, 6.3051e-02, -8.7045e-02, 1.9679e-01, 1.7445e-02, 4.4112e-02, -1.3616e-01, -1.1152e-02, 2.3204e-02, 1.7329e-01, 9.3040e-02, 6.1244e-02, -2.0709e-01, -2.0581e-01, 2.0918e-01, 4.8182e-02, -7.8882e-01, -7.8323e-02, -1.1841e-01, -1.5098e-01, 1.3749e-01, -2.3994e-01, -1.6368e-02, -1.1497e-02, 1.5636e-01, 1.5609e-01, -6.6209e-02, -5.8967e-02, 1.4388e-01, 4.3347e-02, 4.9570e-02, 4.8680e-02, -1.0512e-01, -2.1850e-02, -1.1607e-01, -1.4993e-01]])

[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, 1.5123e-02, 6.9924e-02, -4.1565e-02, -8.8786e-02, 9.4726e-02, -1.1629e-01, -3.1376e-02, -4.4637e-02, 2.0373e-02, -1.1122e-02, -4.5137e-02, -6.4116e-02, 1.4153e-01, -1.5450e-01, -2.4500e-02, 2.2388e-02, 1.8557e-01, 2.3192e-03, -1.4487e-01, -1.2127e-01, 2.8390e-01, 9.6697e-02, 7.4897e-02, 2.7328e-02, 1.0524e-01, -8.8973e-03, -1.2441e-04, -4.9287e-03, -5.0173e-02, -8.8523e-02, -4.2966e-02, 2.2992e-02, 2.7227e-02, -4.4031e-02, -5.3254e-02, -5.6981e-02, -1.3461e-01, -1.2023e-01, -1.4037e-01, 2.0885e-03, 1.1070e-01, 5.1086e+00, 2.3805e-02, -4.0423e-02, -2.6297e-02, 9.6602e-02, 4.4808e-02, -1.1020e-01, -4.4452e-02, 7.7841e-02, 9.4810e-02, 1.3952e-01, -1.4723e-02, -7.3995e-02, 6.3434e-02, 5.2003e-02, -4.3692e-02, 2.8670e-01, -2.3450e-02, -1.0408e-01, 1.0748e-01, -9.6253e-03, 3.1462e-02, -3.4754e-02, 3.0102e-02, -9.9937e-03, 3.9706e-02, 2.9665e-01, -1.3556e-01, 9.4575e-02, -1.7344e-04, -1.4853e-01, -1.4386e-01, 1.5790e-01, 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-7.3222e-02, 1.1028e-02, -1.2925e-01, -5.1992e-02]])

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

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-7.3222e-02, 1.1028e-02, -1.2925e-01, -5.1992e-02]])

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

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-3.0533e-02, -1.0579e-01, -1.7098e-01]])

[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

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-3.0533e-02, -1.0579e-01, -1.7098e-01]])

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

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-8.4710e-02, 5.8422e-02, -8.3313e-02, -1.5360e-02]])

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

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4.9437e-02, -2.3281e-02, -8.7429e-02, -6.7856e-02, -6.2595e-02, -2.2242e-01, 1.3281e-03, 5.5015e-02, 2.2397e-01, 1.1889e-02, -1.0997e-02, 7.0799e-03, 5.9045e-02, -1.1275e-01, 1.3793e-01, 7.5163e-02, -1.0524e-01, 2.2733e-01, -8.7196e-02, 1.5175e-01, 2.1793e-02, -7.2869e-02, 1.7254e-01, -1.0085e-01, 9.1158e-02, 5.8409e-02, 1.0105e-01, -1.3892e-01, 3.6240e-02, -6.5358e-02, 1.1110e-01, 3.9332e-01, 7.3753e-02, 3.4031e-02, 5.5431e-02, 1.6800e-01, -6.9844e-02, 7.3771e-02, -8.2955e-02, -8.6226e-02, -2.4157e-02, 1.7210e-02, 8.8892e-02, -5.4547e-02, 2.1069e-02, -5.9776e-03, -2.7109e-01, -1.4780e-01, 4.8203e-02, 1.4276e-01, 1.4900e-01, 1.0997e-01, 1.4035e-01, 1.3155e-01, -2.0284e-01, -1.1008e-01, -1.4884e-01, -4.5846e-02, 2.3157e-02, -3.4169e-02, 1.4834e-02, -6.7399e-02, -1.0118e-01, -1.3153e-02, 6.4327e-02, 4.8523e-03, -8.7592e-02, 4.4352e-03, 9.0678e-02, 4.2189e-02, -1.3063e-01, 1.1049e-01, 6.9355e-02, -2.6887e-02, -3.4978e-02, -7.2937e-02, 3.9311e-02, -1.2662e-01, -6.5882e-02, -1.0968e-01, 2.5038e-02, -3.0596e-02, 6.9409e-02, 2.9390e-02, -4.4134e-02, 2.4405e-02, 1.0702e-03, -2.1681e-01, -9.1941e-02, 4.2820e-02, 2.3245e-02, -1.1862e-01, -1.6395e-01, -3.0539e-02, -2.6983e-02, -7.0648e-02, -2.1200e-02, -4.7605e-02, -3.1587e-02, 1.4815e-01, -3.9480e-02, 5.6807e-03, 8.2605e-03, -1.2964e-01, 1.2835e-01, -1.7917e-01, -7.9384e-02, -1.2589e-01, 8.2477e-02, -4.6391e-02, -4.4294e-03, 1.0083e-01, -8.3487e-03, -4.8794e-03, -1.4332e-03, 1.8909e-02, -3.9928e-02, -8.6789e-02, -1.2753e-01, -9.1060e-02, -1.4897e-01, 8.5499e-02, -8.9162e-02, 1.9835e-01, 9.2043e-02, -1.0116e-01, -2.7083e-02, 6.8226e-02, 2.3165e-02, -4.3142e-02, 6.5369e-02, -1.3574e-01, 5.3153e-02, -2.4606e-02, -2.1467e-02, 1.2218e-01, 1.7195e-01, 1.4293e-01, 1.5377e-01, -1.5183e-01, -2.5780e-01, 3.2823e-01, 4.0970e-02, -5.2331e-01, -1.3486e-01, -1.0768e-01, -9.9487e-02, 2.4571e-01, -2.8293e-01, 6.4237e-02, -7.1537e-02, 5.8183e-02, 2.0114e-01, 5.1601e-02, -6.1500e-02, 6.8206e-02, 1.9701e-01, 1.0275e-01, 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, 4.1407e-02, 6.2701e-02, -9.3567e-02, -3.5376e-02, 1.2006e-01, -1.2064e-01, -3.5905e-02, -9.1158e-02, 6.3165e-02, -1.2113e-01, -1.4830e-02, -1.5551e-01, 1.2041e-01, -1.8195e-01, -1.3282e-01, 4.4765e-02, 1.2534e-01, -6.1945e-04, -1.1331e-01, -1.3165e-01, 3.7571e-01, 1.4485e-01, 1.1915e-01, 7.6867e-02, 1.4844e-01, -2.8935e-02, 1.0363e-02, 1.8829e-02, -4.3933e-02, -1.1038e-01, -8.2911e-02, 4.9896e-02, 6.3303e-02, 5.2517e-03, -2.0293e-02, 2.9095e-02, -1.1146e-01, -1.1314e-01, -1.5619e-01, -3.5989e-02, 1.2971e-01, 4.9848e+00, 1.5159e-01, -2.4769e-02, -4.5149e-02, 8.1957e-02, 2.6002e-02, -1.1128e-01, -6.6997e-02, 8.2526e-02, 8.2181e-02, 1.2995e-01, -2.7037e-02, -8.4513e-02, 6.2367e-02, 5.4740e-02, 1.1326e-02, 3.1837e-01, 2.4771e-02, -1.1673e-01, 1.4574e-01, 4.4100e-02, 6.9603e-02, -7.9128e-02, -3.1623e-02, 3.0584e-02, 4.1182e-02, 3.2738e-01, -1.2409e-01, 1.3878e-01, -1.4348e-02, -1.8991e-01, -1.7148e-01, 2.1679e-01, 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4.6353e-03, -1.0580e-01, -9.9054e-02]])

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

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4.6353e-03, -1.0580e-01, -9.9054e-02]])

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

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-7.3222e-02, 1.1028e-02, -1.2925e-01, -5.1992e-02]])

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

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-7.3222e-02, 1.1028e-02, -1.2925e-01, -5.1992e-02]])

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

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-2.1850e-02, -1.1607e-01, -1.4993e-01]])

[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

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-6.4828e-02, -5.3734e-02, 1.1333e-01, -2.9743e-02, -2.3672e-01, 6.4516e-03, 6.7807e-02, 1.3799e-01, 5.8019e-02, 3.5224e-03, 2.4607e-03, -1.1552e-03, -8.9329e-02, 1.5154e-01, 1.3698e-02, -1.7501e-01, 1.3308e-01, 2.2051e-02, 1.1942e-02, 2.6235e-02, 2.6543e-03, 3.2816e-02, 2.9232e-02, 5.8942e-02, 5.9155e-02, 1.8113e-02, -1.1504e-01, 6.3367e-02, 1.0289e-01, 1.0087e-01, 2.5425e-01, 3.8404e-02, -8.5311e-02, 1.1667e-01, 3.8429e-02, -1.0399e-01, 1.1251e-01, -6.0658e-02, -1.5204e-01, 4.7275e-02, -1.8583e-02, 2.9537e-02, 1.6473e-02, -6.4874e-02, 6.0452e-02, -9.5197e-02, -1.2120e-01, 7.0362e-02, 1.2792e-01, 1.4943e-01, 5.5237e-02, 1.7935e-01, 7.2611e-02, -2.5170e-01, -1.2375e-01, -1.7649e-01, 3.9522e-02, 2.2653e-02, -7.9201e-02, -7.9761e-03, -5.4267e-02, -1.5443e-01, -6.0637e-03, -2.2081e-02, 8.4566e-02, -2.6444e-02, -5.3987e-02, 7.2063e-02, 4.0679e-02, -7.6146e-02, 3.8883e-02, 6.3474e-03, -2.6725e-02, -5.3654e-02, -1.0730e-01, -9.8924e-03, -1.4730e-01, -1.5190e-01, -1.6453e-02, -7.4122e-02, 5.7778e-02, 4.2557e-02, 3.3477e-02, 2.3826e-02, -2.3006e-02, 5.2956e-02, -1.3376e-01, -1.1260e-01, 1.2145e-01, 6.3511e-02, -9.6095e-03, -1.0364e-01, -3.4148e-02, 7.0737e-02, -9.7939e-03, -2.3023e-02, -5.4968e-02, 1.2993e-02, 6.1672e-02, -6.5637e-02, -3.3883e-02, 6.0752e-02, -1.1250e-01, -2.3775e-02, -1.1751e-01, -1.7663e-01, -1.3281e-01, 7.0390e-02, -4.3569e-02, -5.4684e-02, 5.4801e-02, 6.5317e-02, -7.4326e-02, -5.7974e-02, -4.5748e-02, 2.0847e-02, 2.3543e-02, -1.9231e-01, -7.3048e-02, -1.5496e-01, 1.1728e-01, -7.0794e-02, 1.3632e-01, 4.0052e-02, -1.8379e-02, 6.9506e-02, 1.6112e-01, 6.3051e-02, -8.7045e-02, 1.9679e-01, 1.7445e-02, 4.4112e-02, -1.3616e-01, -1.1152e-02, 2.3204e-02, 1.7329e-01, 9.3040e-02, 6.1244e-02, -2.0709e-01, -2.0581e-01, 2.0918e-01, 4.8182e-02, -7.8882e-01, -7.8323e-02, -1.1841e-01, -1.5098e-01, 1.3749e-01, -2.3994e-01, -1.6368e-02, -1.1497e-02, 1.5636e-01, 1.5609e-01, -6.6209e-02, -5.8967e-02, 1.4388e-01, 4.3347e-02, 4.9570e-02, 4.8680e-02, -1.0512e-01, -2.1850e-02, -1.1607e-01, -1.4993e-01]])

[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, 7.8749e-02, 5.1492e-02, -1.5887e-01, -1.2109e-02, 1.4640e-03, -7.1990e-02, 3.1281e-02, 2.1023e-02, -5.1976e-02, -2.2145e-01, -1.6418e-02, -1.4279e-01, 3.5034e-02, -2.8893e-01, -1.6926e-01, 8.2064e-02, 4.9909e-02, -3.6067e-02, -9.5465e-02, -2.1553e-01, 3.4122e-01, 1.2589e-01, 1.8024e-01, 7.6675e-02, 8.4408e-03, -1.5414e-01, -1.3688e-02, -1.9456e-02, 1.0224e-02, -9.6918e-02, -2.9756e-01, -4.0741e-02, 1.2505e-01, -1.9355e-02, -3.5752e-02, 1.5138e-01, 1.7804e-02, -8.4662e-02, -6.3968e-02, -4.8845e-02, 1.7838e-01, 5.0242e+00, 1.0096e-01, 1.2619e-01, -1.0035e-01, -1.6178e-01, 6.8254e-02, -9.9518e-02, -7.1994e-02, 3.9948e-02, 3.8880e-02, 6.0559e-02, 2.4136e-02, 3.0435e-02, -2.2820e-02, -2.0331e-01, 8.6327e-03, 2.2942e-01, 4.1113e-02, -7.4544e-02, -2.2113e-02, -1.2047e-01, 5.4822e-02, -2.1464e-02, -1.7247e-02, 4.1879e-02, 9.5086e-02, 3.0747e-01, -8.8977e-02, 1.5896e-01, 7.4034e-02, -1.8996e-01, -1.9830e-01, 1.8529e-01, 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-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]])

[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

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1.4709e-01, 6.1252e-02]])

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

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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

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