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[H+:38].[H+:48].[H:26][c:17]1[c:18]([c:19]([c:20]([c:15]([c:16]1[H:27])[C:14]([H:28])([H:29])[C:12](=[O:13])[N:11]([H:30])[C@:10]2([C:31]([C:5](=[N+:6]([C@:8]([C:9]2([H:35])[H:36])([C-:37]([H:39])[H:40])[C:41]([H:42])([H:43])[H:44])[H:7])[C-:45]([H:46])[H:47])([H:32])[H:33])[H:34])[N+:21](=[O:22])[O-:23])[H:24])[H:25].... | [
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156.6481628... |
[H:33][c:28]1[c:29]([c:30]([c:25]([c:26]([c:27]1[H:34])[H:35])[C:24]([H:36])([H:37])[N:17]2[C:18]([C:19]([C:14]([C:15]([C:16]2([H:38])[H:39])([H:40])[H:41])([H:42])[N:12]([H:13])[C:10](=[O:11])[N:9]([H:43])[C@:8]([H:48])([C:6](=[O:7])[O:5][C:1]([H:2])([H:3])[H:4])[C:44]([H:45])([H:46])[H:47])([H:20])[H:21])([H:22])[H:2... | [
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[H+:37].[H:44][C-:36]1[C:35]([C@@:30]2([C:28](=[O:29])[N:27]([C:32](=[O:33])[N:31]2[H:34])[C:26]([H:47])([H:48])[C:2](=[O:1])[N:3]([H:4])[C:5]([H:6])([H:7])[C:8]([H:24])([H:25])[C:9]3=[C:10]([C:11]([C:12]([C:13]([C:14]3([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])[H:23])[C:41]([C:38]1([H:39])[H:40])([H:4... | [
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] | [
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[H+:13].[H+:26].[H:36][c:31]1[c:32]([c:33]([c:28]([c:29]([c:30]1[H:37])[H:38])[C:27]([H:39])([H:40])[C-:25]([C:41](=[O:42])[N:43]([H:44])[H:45])[N:23]([H:24])[C:21](=[O:22])[C@:6]([H:20])([C:7]([H:8])([H:9])[C@:10]([H:19])([C-:11]([H:12])[H:14])[C:15]([H:16])([H:17])[H:18])[N:4]([H:5])[C:2](=[O:3])[C:1]([H:46])([H:47])... | [
3.9914050102233887,
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] | [
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[H:11][c:8]1[c:9]([c:4]([c:5]([c:6]([c:7]1[N:12]2[C:13](=[O:14])[C:15]([C@:17]([C:41]2([H:42])[H:43])([H:40])[N:18]([H:39])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:38])[C:25]([H:26])([H:37])[C:27]([H:36])([C:28]([H:29])([H:30])[H:31])[C:32]([H:33])([H:34])[H:35])([H:16])[H:44])[H:45])[H:46])[O:3][C:1]([H:2])([H:4... | [
-5.806116104125977,
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-660203.8125
] | [
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[H:44][C@@:14]1([C:11]([C:8]([C:7]([N:6]1[C:5]([H:47])([H:48])[C:1]([H:2])([H:3])[H:4])([H:45])[H:46])([H:9])[H:10])([H:12])[H:13])[C:15]([H:42])([H:43])[N:16]([H:41])[C:17](=[O:18])[C:19]2=[C:20]([C:21]3=[C:22]([C:27]([C:28]([C:29]([C:30]3([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[N:23]([C:24]2=[O:25... | [
5.299527168273926,
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0.4416120052337... | [
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6.215... |
[H:14][c:13]1[c:12]([c:11]([c:10]([c:9]([c:8]1[C:6](=[O:7])[O:5][C:2]([H:3])([H:4])[C:1]([H:46])([H:47])[H:48])[H:45])[H:44])[N:16]([H:43])[C:17](=[O:18])[N:19]([H:20])[C:21]([H:22])([H:23])[C:24]([H:41])([H:42])[N:25]2[C:30]([C:29]([C:28]([C:27]([C:26]2([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31... | [
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-0.0500309... | [
-660665.875
] | [
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-5.041539669036865,
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1.283340573310852,
2.77856... |
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