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[H:46][c:13]1[c:12]([c:11]([c:10]2[c:15]([c:14]1[H:45])[c:16]([c:17]([c:8]([n:9]2)[O:7][C:4]([H:5])([H:6])[C:3]([H:49])([H:50])[C:2]([H:51])([H:52])[C:1]([H:53])([H:54])[H:55])[H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:44])[C:25]([H:42])([H:43])[N+:26]([H:41])([C:27]([H:32])([H:33])[C:28]([H:29])([H:30])[H:3... | [
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[H:46][c:13]1[c:12]([c:11]([c:10]2[c:15]([c:14]1[H:45])[c:16]([c:17]([c:8]([n:9]2)[O:7][C:4]([H:5])([H:6])[C:3]([H:49])([H:50])[C:2]([H:51])([H:52])[C:1]([H:53])([H:54])[H:55])[H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:44])[C:25]([H:42])([H:43])[N+:26]([H:41])([C:27]([H:32])([H:33])[C:28]([H:29])([H:30])[H:3... | [
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] | [
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[H:35][c:33]1[c:32]([c:31]([c:30]([c:29]2[c:34]1[N:9]([C:10](=[N:11][C:12](=[O:13])[C:14]([H:26])([H:27])[N:15]3[C:20](=[O:21])[C:19]([C:18]([C:16]3=[O:17])([H:24])[H:25])([H:22])[H:23])[S:28]2)[C:8]([H:44])([H:45])[C:6](=[O:7])[O:5][C:2]([H:3])([H:4])[C:1]([H:46])([H:47])[H:48])[H:43])[S:37](=[O:38])(=[O:39])[N:40]([H... | [
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[H:46][c:13]1[c:12]([c:11]([c:10]2[c:15]([c:14]1[H:45])[c:16]([c:17]([c:8]([n:9]2)[O:7][C:4]([H:5])([H:6])[C:3]([H:49])([H:50])[C:2]([H:51])([H:52])[C:1]([H:53])([H:54])[H:55])[H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:44])[C:25]([H:42])([H:43])[N+:26]([H:41])([C:27]([H:32])([H:33])[C:28]([H:29])([H:30])[H:3... | [
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] | [
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[H:46][c:13]1[c:12]([c:11]([c:10]2[c:15]([c:14]1[H:45])[c:16]([c:17]([c:8]([n:9]2)[O:7][C:4]([H:5])([H:6])[C:3]([H:49])([H:50])[C:2]([H:51])([H:52])[C:1]([H:53])([H:54])[H:55])[H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:44])[C:25]([H:42])([H:43])[N+:26]([H:41])([C:27]([H:32])([H:33])[C:28]([H:29])([H:30])[H:3... | [
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2.... | [
-686919.1875
] | [
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[H+:36].[H:46][c:13]1[c:12]([c:11]([c:10]2[c:15]([c:14]1[H:45])[c:16]([c:17]([c:8]([n:9]2)[O:7][C:4]([H:5])([H:6])[C:3]([H:49])([H:50])[C:2]([H:51])([H:52])[C:1]([H:53])([H:54])[H:55])[H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:44])[C:25]([H:42])([H:43])[N@@+:26]([H:41])([C:34]([H:39])([H:40])[C-:35]([H:37])[... | [
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0.... | [
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] | [
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191.7076... |
[H:46][c:13]1[c:12]([c:11]([c:10]2[c:15]([c:14]1[H:45])[c:16]([c:17]([c:8]([n:9]2)[O:7][C:4]([H:5])([H:6])[C:3]([H:49])([H:50])[C:2]([H:51])([H:52])[C:1]([H:53])([H:54])[H:55])[H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:44])[C:25]([H:42])([H:43])[N+:26]([H:41])([C:27]([H:32])([H:33])[C:28]([H:29])([H:30])[H:3... | [
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] | [
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[H:46][c:13]1[c:12]([c:11]([c:10]2[c:15]([c:14]1[H:45])[c:16]([c:17]([c:8]([n:9]2)[O:7][C:4]([H:5])([H:6])[C:3]([H:49])([H:50])[C:2]([H:51])([H:52])[C:1]([H:53])([H:54])[H:55])[H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:44])[C:25]([H:42])([H:43])[N+:26]([H:41])([C:27]([H:32])([H:33])[C:28]([H:29])([H:30])[H:3... | [
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1.2811... | [
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] | [
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[H:46][c:13]1[c:12]([c:11]([c:10]2[c:15]([c:14]1[H:45])[c:16]([c:17]([c:8]([n:9]2)[O:7][C:4]([H:5])([H:6])[C:3]([H:49])([H:50])[C:2]([H:51])([H:52])[C:1]([H:53])([H:54])[H:55])[H:18])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:24])([H:44])[C:25]([H:42])([H:43])[N+:26]([H:41])([C:27]([H:32])([H:33])[C:28]([H:29])([H:30])[H:3... | [
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1.5... | [
-686919.4375
] | [
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-3.44052... |
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