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[H:36][C:32]1=[C:33]([O:34][C:30](=[C:31]1[H:37])[C:17]2=[N:16][N:15]=[C:14]([N:18]2[C:19]([H:28])([H:29])[C:20]3=[C:21]([C:22](=[C:23]([O:24]3)[H:25])[H:26])[H:27])[S:13][C:10]([H:11])([H:12])[C:8](=[O:9])[N:7]([H:38])[C:4]4=[N:5][O:6][C:2](=[C:3]4[H:39])[C:1]([H:40])([H:41])[H:42])[H:35] | [
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[H:14][c:11]1[c:10]([c:9]([n:8][c:7]([c:12]1[H:13])[C:6]2=[N:5][N:4]=[C:3]([N:2]2[C:1]([H:40])([H:41])[H:42])[S:17][C:18]([H:38])([H:39])[c:19]3[c:20]([c:21]([c:22]([c:23]4[c:24]3[O:25][C:26]([O:27][C:28]4([H:29])[H:30])([H:31])[H:32])[H:33])[N+:34](=[O:36])[O-:35])[H:37])[H:16])[H:15] | [
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40.819339752197266,
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148.53939819335938,
162.65992736816406,
-46.58775329589844,
-150.0429229736328,
247.22283935546875,
65.16... |
[H:31][c:28]1[c:29]([c:24]([c:25]([c:26]([c:27]1[H:32])[N+:33](=[O:35])[O-:34])[H:36])[N:23]([H:37])[C:21](=[O:22])[C:19]([H:20])([H:38])[S:18][C:13]2=[N:14][N:15]=[C:16]([N:12]2[c:7]3[c:8]([c:9]([c:4]([c:5]([c:6]3[H:39])[H:40])[O:3][C:1]([H:2])([H:41])[H:42])[H:10])[H:11])[H:17])[H:30] | [
-6.640253067016602,
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-0.6770070195198059,
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0.14056000113487244,
0... | [
-1022625.25
] | [
-4.594412803649902,
2.6437180042266846,
0.0033404577989131212,
0.41637498140335083,
2.0868020057678223,
0.8781301379203796,
6.060124397277832,
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5.570184230804443,
0.7992220520973206,
1.673500657081604,
-6.612133502960205,
-2.9159553050994873,
-3.... |
[H:36][C:32]1=[C:33]([O:34][C:30](=[C:31]1[H:37])[C:17]2=[N:16][N:15]=[C:14]([N:18]2[C:19]([H:28])([H:29])[C:20]3=[C:21]([C:22](=[C:23]([O:24]3)[H:25])[H:26])[H:27])[S:13][C:10]([H:11])([H:12])[C:8](=[O:9])[N:7]([H:38])[C:4]4=[N:5][O:6][C:2](=[C:3]4[H:39])[C:1]([H:40])([H:41])[H:42])[H:35] | [
3.9520039558410645,
3.616792917251587,
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3.232213020324707,
2.422313928604126,
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0.477728009223938,
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1.2536989450454712,
1.257457971572876,
-1.5921829... | [
-1022330.9375
] | [
-304.1847229003906,
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110.82906341552734,
-115.08280181884766,
60.81098556518555,
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21.94226837158203,
-41.201385498046875,
14.561320304870605,
31.3112850189209,
59.323707580566406,
48.237754... |
[H:36][C:32]1=[C:33]([O:34][C:30](=[C:31]1[H:37])[C:17]2=[N:16][N:15]=[C:14]([N:18]2[C:19]([H:28])([H:29])[C:20]3=[C:21]([C:22](=[C:23]([O:24]3)[H:25])[H:26])[H:27])[S:13][C:10]([H:11])([H:12])[C:8](=[O:9])[N:7]([H:38])[C:4]4=[N:5][O:6][C:2](=[C:3]4[H:39])[C:1]([H:40])([H:41])[H:42])[H:35] | [
-4.690087795257568,
-2.6592938899993896,
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0.2459380030632019,
0.10491199791431427,
-3.1567389965057373,
-0.45026499032974243,
... | [
-1022638.75
] | [
2.1766254901885986,
0.2172258198261261,
6.173225402832031,
6.188208103179932,
16.815380096435547,
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6.245882034301758,
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-20.680469512939453,
-1.1198550462722778,
15.016203880310059,
24.92032814025879,
7.4630999... |
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