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[H:21][c:5]1[c:7]([c:10]([c:8]([c:6]([c:9]1[C:4](=[O:1])[C@:20]2([C:18]([C:17]([C:16]([N:12]2[H:26])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[C:15]([H:33])([H:34])[O:3][C:19]([H:41])([C:13]([H:27])([H:28])[H:29])[C:14]([H:30])([H:31])[H:32])[H:22])[Cl:2])[N:11]([H:24])[H:25])[H:23] | [
1.2314749956130981,
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1.523... | [
-818433.1875
] | [
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30.97023200... |
[H:25][c:14]1[c:12]([c:16]([c:13]([c:15]([c:17]1[C:21]([H:36])([H:37])[O:5][C:7](=[O:1])[S:6][c:8]2[n:2][c:9]([c:11]([c:10]([n:3]2)[C:20]([H:33])([H:34])[H:35])[H:22])[C:19]([H:30])([H:31])[H:32])[H:26])[H:24])[O:4][C:18]([H:27])([H:28])[H:29])[H:23] | [
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] | [
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[H:25][c:14]1[c:12]([c:16]([c:13]([c:15]([c:17]1[C:21]([H:36])([H:37])[O:5][C:7](=[O:1])[S:6][c:8]2[n:2][c:9]([c:11]([c:10]([n:3]2)[C:20]([H:33])([H:34])[H:35])[H:22])[C:19]([H:30])([H:31])[H:32])[H:26])[H:24])[O:4][C:18]([H:27])([H:28])[H:29])[H:23] | [
-0.5411859750747681,
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0.06619... | [
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] | [
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[H:21][c:5]1[c:7]([c:10]([c:8]([c:6]([c:9]1[C:4](=[O:1])[C@:20]2([C:18]([C:17]([C:16]([N:12]2[H:26])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[C:15]([H:33])([H:34])[O:3][C:19]([H:41])([C:13]([H:27])([H:28])[H:29])[C:14]([H:30])([H:31])[H:32])[H:22])[Cl:2])[N:11]([H:24])[H:25])[H:23] | [
0.32374000549316406,
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] | [
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[H:25][c:14]1[c:12]([c:16]([c:13]([c:15]([c:17]1[C:21]([H:36])([H:37])[O:5][C:7](=[O:1])[S:6][c:8]2[n:2][c:9]([c:11]([c:10]([n:3]2)[C:20]([H:33])([H:34])[H:35])[H:22])[C:19]([H:30])([H:31])[H:32])[H:26])[H:24])[O:4][C:18]([H:27])([H:28])[H:29])[H:23] | [
-0.3029879927635193,
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2.36164903... | [
-824923.4375
] | [
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[H:21][c:5]1[c:7]([c:10]([c:8]([c:6]([c:9]1[C:4](=[O:1])[C@@:20]2([C:18]([C:17]([C:16]([N:12]2[H:26])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[C:15]([H:33])([H:34])[O:3][C:19]([H:41])([C:13]([H:27])([H:28])[H:29])[C:14]([H:30])([H:31])[H:32])[H:22])[Cl:2])[N:11]([H:24])[H:25])[H:23] | [
1.0555249452590942,
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-1.20... | [
-818483.875
] | [
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4.476103305... |
[H:25][c:14]1[c:12]([c:16]([c:13]([c:15]([c:17]1[C:21]([H:36])([H:37])[O:5][C:7](=[O:1])[S:6][c:8]2[n:2][c:9]([c:11]([c:10]([n:3]2)[C:20]([H:33])([H:34])[H:35])[H:22])[C:19]([H:30])([H:31])[H:32])[H:26])[H:24])[O:4][C:18]([H:27])([H:28])[H:29])[H:23] | [
-0.6776419878005981,
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2.... | [
-824892.8125
] | [
23.626983642578125,
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-7.456436634... |
[H:21][c:5]1[c:7]([c:10]([c:8]([c:6]([c:9]1[C:4](=[O:1])[C@@:20]2([C:18]([C:17]([C:16]([N:12]2[H:26])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[C:15]([H:33])([H:34])[O:3][C:19]([H:41])([C:13]([H:27])([H:28])[H:29])[C:14]([H:30])([H:31])[H:32])[H:22])[Cl:2])[N:11]([H:24])[H:25])[H:23] | [
1.2910170555114746,
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-0.504... | [
-818491.5
] | [
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[H:21][c:5]1[c:7]([c:10]([c:8]([c:6]([c:9]1[C:4](=[O:1])[C@:20]2([C:18]([C:17]([C:16]([N:12]2[H:26])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[C:15]([H:33])([H:34])[O:3][C:19]([H:41])([C:13]([H:27])([H:28])[H:29])[C:14]([H:30])([H:31])[H:32])[H:22])[Cl:2])[N:11]([H:24])[H:25])[H:23] | [
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2.7884... | [
-818449.5625
] | [
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40.99608... |
[H:25][c:14]1[c:12]([c:16]([c:13]([c:15]([c:17]1[C:21]([H:36])([H:37])[O:5][C:7](=[O:1])[S:6][c:8]2[n:2][c:9]([c:11]([c:10]([n:3]2)[C:20]([H:33])([H:34])[H:35])[H:22])[C:19]([H:30])([H:31])[H:32])[H:26])[H:24])[O:4][C:18]([H:27])([H:28])[H:29])[H:23] | [
0.7521089911460876,
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1.... | [
-824918.3125
] | [
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-20.444406509399414,
-3.395247459411621,
-16.290075... |
[H:21][c:5]1[c:6]([c:9]([c:15]([c:10]([c:7]1[H:23])[H:26])[C@@:18]([H:31])([c:16]2[c:11]([c:8]([c:14]3[c:13]([c:12]2[H:28])[B:4]([O:2][C:17]3([H:29])[H:30])[O:1][H:19])[H:24])[H:27])[O:3][H:20])[H:25])[H:22] | [
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... | [
-496958.125
] | [
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-1.5549... |
[H:21][c:5]1[c:7]([c:10]([c:8]([c:6]([c:9]1[C:4](=[O:1])[C@@:20]2([C:18]([C:17]([C:16]([N:12]2[H:26])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])[C:15]([H:33])([H:34])[O:3][C:19]([H:41])([C:13]([H:27])([H:28])[H:29])[C:14]([H:30])([H:31])[H:32])[H:22])[Cl:2])[N:11]([H:24])[H:25])[H:23] | [
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-1.08537304... | [
-818448.25
] | [
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-25.618953... |
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