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[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])[C:23]([H:38])([H:39])[N:21]([H:22])[C:20]([H:40])([H:41])[c:7]2[c:6]([c:5]([c:4]([c:9]([c:8]2[H:19])[O:10][C:11]([H:17])([H:18])[C:12](=[O:13])[N:14]([H:15])[H:16])[O:3][C:1]([H:2])([H:44])[H:45])[H:43])[H:42])[H:31])[H:32] | [
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0.37085500... | [
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1.0378365516662598,
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2.222029447555542,
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[H:33][c:21]1[c:22]([c:23]2[c:24]([c:25]([c:20]1[C:18](=[O:19])[N:17]([H:34])/[N:16]=[C:15]\3/[C:9](=[C:10]([C:11]([C:14]3([H:35])[H:36])([H:12])[H:13])[H:37])[C:8]([H:38])([H:39])[C:5]([H:6])([H:7])[C:4]([H:40])([H:41])[C:3]([H:42])([H:43])[C:1]([H:2])([H:44])[H:45])[H:26])[O:27][C:28]([O:29]2)([H:30])[H:31])[H:32] | [
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0.2... | [
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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](=[C:21]([H:22])[H:38])[C:31]([H:32])([H:33])[C-:30]([H:34])[H:35])[H:39])[H:40])[H:41].[H:24][C:23](=[C:25]([H:36])[C:26]([H:27])([H:28])[H:29])[H:37] | [
5.554369926452637,
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] | [
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[H:40][c:16]1[c:17]([c:18]([c:19]([c:14]([c:15]1[H:41])[O:13][C:11]([H:12])([H:42])[C:10]([H:43])([H:44])[C:5]([H:45])([C:1]([H:2])([H:3])[H:4])[C:6]([H:7])([H:8])[H:9])[H:20])[O:21][C:22]([H:37])([H:38])[C:23](=[O:24])[N:25]([H:36])[c:26]2[c:31]([c:30]([n:29][c:28]([c:27]2[H:35])[H:34])[H:33])[H:32])[H:39] | [
-6.555798053741455,
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0.55... | [
-649061.875
] | [
6.772526264190674,
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[H:27][c:23]1[c:22]([c:21]([c:20]2[c:25]([c:24]1[H:26])[C:17](=[C:18]([N:19]2[H:30])[H:31])[C:16]([H:32])([H:33])[C:14](=[O:15])[O:13][C:11]([H:12])([H:34])[C:9](=[O:10])[N:8]3[C:35]([C:37]([C:5]([C:6]([C:7]3([H:41])[H:42])([H:43])[H:44])([H:45])[C:1]([H:2])([H:3])[H:4])([H:38])[H:39])([H:36])[H:40])[H:29])[H:28] | [
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... | [
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] | [
2.318512439727783,
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[H+:25].[H:41][c:37]1[c:36]([c:35]([c:34]2[c:39]([c:38]1[H:40])[N:30]([C:31](=[O:32])[O:33]2)[C:29]([H:44])([H:45])[C:26]([H:27])([H:28])[C:2](=[O:1])/[N+:3](=[C:5](\[H:6])/[C:7]([H:23])([H:24])/[C:8](=[C:9](\[H:22])/[C:10]([H:20])([H:21])[C:11]([H:18])([H:19])[C-:12]([H:16])[H:17])/[C-:13]([H:14])[H:15])/[H:4])[H:43])... | [
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... | [
-648705.75
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200.00411... |
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