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[H:42][c:6]1[c:7]([c:8]2[c:9]([c:4]([c:5]1[H:43])[O:3][C:1]([H:2])([H:44])[H:45])[C:10](=[C:11]([N:12]([C:13]2=[O:14])[C:15]([H:16])([H:17])[C:18](=[O:19])[N:20]3[C:31]([C:30]([C:25]([C:23]([C:21]3([H:22])[H:38])([H:24])[H:37])([H:36])[C:26]([H:27])([H:28])[H:29])([H:34])[H:35])([H:32])[H:33])[H:39])[H:40])[H:41] | [
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[H+:42].[H:35][c:30]1[c:31]([c:32]([c:27]([c:28]([c:29]1[H:36])[H:37])[N:26]([H:38])[C:24](=[O:25])[C:10]2=[C:11]([N:12]([C-:8]([C:9]2=[C:39]([H:40])[H:41])[C:6](=[O:7])[O:5][C:2]([H:3])([H:4])[C:1]([H:43])([H:44])[H:45])[C:13]([H:18])([H:19])[C:14]([H:15])([H:16])[H:17])[C:20]([H:21])([H:22])[H:23])[H:33])[H:34] | [
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[H:16][c:13]1[c:12]([c:11]([n:10][c:9]([c:14]1[H:15])[C:8]([H:19])([H:20])[N:6]([H:7])[C:4](=[O:5])[C:3]2=[C:2]([C:41](=[O:42])[O:40][C:21]23[C:30]([C:29]([C:24]([C:23]([C:22]3([H:38])[H:39])([H:36])[H:37])([H:35])[C:25]([H:26])([H:27])[H:28])([H:33])[H:34])([H:31])[H:32])[C:1]([H:43])([H:44])[H:45])[H:18])[H:17] | [
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1.9374959468841... | [
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[H+:38].[H:23][c:17]1[c:18]([c:19]([c:20]2[c:15]([c:16]1[H:24])[C:14](=[C:13]([N:12]2[C:11]([H:36])([H:37])[C:9](=[O:10])[N:8]=[C:7]([H:39])[H:40])[H:35])[C:25](=[O:26])[C:27]3([C:29]([C:28]3([H:32])[H:33])([H:30])[H:31])[H:34])[H:21])[H:22].[H:6][C-:5]([H:41])[C:4]([H:42])([H:43])[O:3][C:1]([H:2])([H:44])[H:45] | [
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] | [
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202.8598480224... |
[H:40][c:7]1[c:6]([c:5]([c:4]2[c:9]([c:8]1[H:39])[c:10]([c:11]([c:2]([n:3]2)[C:1]([H:43])([H:44])[H:45])[H:12])[C:13](=[O:14])[O:15][C:16]([H:17])([H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:25])[C:26]([H:27])([H:28])[C:29]([H:38])([C:30]([H:31])([H:32])[H:33])[C:34]([H:35])([H:36])[H:37])[H:42])[H:41] | [
3.892867088317871,
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] | [
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[H:38][c:33]1[c:34]([c:35]([c:30]([c:31]([c:32]1[H:39])[H:40])[C:29]([H:41])([H:42])[C@@:15]([H:28])([C:13](=[O:14])[N:12]([H:43])[C:11]([H:44])([H:45])[C:5]([H:10])([C:1]([H:2])([H:3])[H:4])[C:6]([H:7])([H:8])[H:9])[N:16]([H:27])[C:17](=[O:18])[C:19]2=[C:20]([C:21](=[C:22]([O:23]2)[H:24])[H:25])[H:26])[H:36])[H:37] | [
4.1111741065979,
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-0.05421100184... | [
-649080.0625
] | [
2.0180623531341553,
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[H:23][c:17]1[c:18]([c:19]([c:20]2[c:15]([c:16]1[H:24])[C:14](=[C:13]([N:12]2[C:11]([H:36])([H:37])[C:9](=[O:10])[N:8]([H:38])[C:7]([H:39])([H:40])[C:5]([H:6])([H:41])[C:4]([H:42])([H:43])[O:3][C:1]([H:2])([H:44])[H:45])[H:35])[C:25](=[O:26])[C:27]3([C:29]([C:28]3([H:32])[H:33])([H:30])[H:31])[H:34])[H:21])[H:22] | [
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... | [
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