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[H:53][c:48]1[c:49]([c:50]([c:45]([c:46]([c:47]1[H:54])[H:55])[C@@:5]([H:56])([C:1]([H:2])([H:3])[H:4])[N:6]([H:44])[C:7](=[O:8])[C:9]([H:42])([H:43])[N:10]([H:41])[C:11](=[S:40])[N:12]([C:13]([H:25])([H:26])[c:14]2[c:19]([c:18]([c:17]([c:16]([c:15]2[H:24])[H:23])[H:22])[H:21])[H:20])[C:27]([H:38])([H:39])[c:28]3[c:33]... | [
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[H:17][c:11]1[c:12]([c:13]([c:14]2[c:9]([c:10]1[H:18])[N:8]=[C:7]([N:6]2[C:5]([H:52])([H:53])[C:2]([H:3])([H:4])[C:1]([H:54])([H:55])[H:56])[C@:19]3([C:46]([C:43]([C:42]([N:20]3[C:21]4=[N:22][C:23](=[C:24]([S:25]4)[H:26])[c:27]5[c:32]([c:31]([c:30]([c:29]([c:28]5[H:41])[H:40])[O:35][C:36]([H:37])([H:38])[H:39])[H:34])[... | [
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] | [
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-1018226.3125
] | [
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[H:27][c:22]1[c:23]([c:24]([c:19]([c:20]([c:21]1[H:28])[H:29])[C:18]([H:30])([H:31])[N:17]([C:16](=[S:45])[N:15]([H:46])[C:14]([H:47])([H:48])[C:12](=[O:13])[N:11]([H:49])[C:10]([H:50])([H:51])[c:5]2[c:6]([c:7]([c:2]([c:3]([c:4]2[H:52])[H:53])[C:1]([H:54])([H:55])[H:56])[H:8])[H:9])[C:32]([H:43])([H:44])[c:33]3[c:38]([... | [
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[H:15][c:10]1[c:11]([c:12]([c:7]([c:8]([c:9]1[H:16])[H:17])[C:6]([H:18])([H:19])[C:5]([H:20])([H:21])[N:3]([H:4])[C:2](=[O:1])[C:22]([H:55])([H:56])[N:23]([H:54])[C:24](=[S:53])[N:25]([C:39]([H:51])([H:52])[c:40]2[c:45]([c:44]([c:43]([c:42]([c:41]2[H:50])[H:49])[H:48])[H:47])[H:46])[C:26]([H:37])([H:38])[c:27]3[c:32]([... | [
-2.0593090057373047,
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-1017660.375
] | [
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-99.72721862792969,
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[H:34][c:29]1[c:30]([c:31]([c:26]([c:27]([c:28]1[H:35])[H:36])[C:25]([H:48])([c:37]2[c:42]([c:41]([c:40]([c:39]([c:38]2[H:47])[H:46])[H:45])[H:44])[H:43])[N:18]3[C:19]([C:20]([N:14]([C:15]([C:17]3([H:49])[H:50])([H:16])[H:51])[C:12](=[O:13])[C:11]([H:52])([H:53])[S:10][c:4]4[n:5][c:6]([c:7]([c:2]([n:3]4)[C:1]([H:54])([... | [
5.919063091278076,
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1.73212099... | [
-1018212
] | [
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[H+:25].[H+:41].[H:8][c:7]1[c:6]([c:5]([c:4]([c:3]([c:2]1[C:1]([H:54])([H:55])[H:56])[H:53])[H:52])[C:10]([H:50])([H:51])[N:11]([H:49])[C:12](=[O:13])[C:14]([H:47])([H:48])[N:15]([H:46])[C:16](=[S:45])[N:17]([C:18]([H:30])([H:31])[C:19]2=[C:20]([C:21](=[C:22]([C:23](=[C-:24]2)[H:26])[H:27])[H:28])[H:29])[C:32]([H:43])(... | [
-1.337049961090088,
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-1.373244047164917,
-1.0808290243148804,
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... | [
-1017704.25
] | [
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-50.584747314453125,
-0.7819197177886963,
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44.79040527... |
[H:34][c:29]1[c:30]([c:31]([c:26]([c:27]([c:28]1[H:35])[H:36])[C:25]([H:48])([c:37]2[c:42]([c:41]([c:40]([c:39]([c:38]2[H:47])[H:46])[H:45])[H:44])[H:43])[N:18]3[C:19]([C:20]([N:14]([C:15]([C:17]3([H:49])[H:50])([H:16])[H:51])[C:12](=[O:13])[C:11]([H:52])([H:53])[S:10][c:4]4[n:5][c:6]([c:7]([c:2]([n:3]4)[C:1]([H:54])([... | [
4.786043167114258,
0.779259979724884,
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-0.5288450121879578,
-0.8781660199165344,
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-1.666098952293396,
-0.99365... | [
-1018212.75
] | [
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-13.0739... |
[H+:19].[H:48][c:43]1[c:44]([c:45]([c:40]([c:41]([c:42]1[H:49])[H:50])[C:39]([H:51])([H:52])[N:25]([C:24](=[S:53])[N:23]([H:54])[C:22]([H:55])([H:56])[C:2](=[O:1])[N:3]([H:4])[C:5]([H:20])([H:21])/[C:6](=[C:7]/2\[C-:12]([C:11](=[C:10]([C:9](=[C:8]2[H:17])[H:16])[H:15])[H:14])[H:13])/[H:18])[C:26]([H:37])([H:38])[c:27]3... | [
-1.0719770193099976,
-1.5795420408248901,
-1.409276008605957,
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... | [
-1017697.25
] | [
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-90.28020477294922,
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469.97412... |
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