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] | [
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[H:14][c:13]1[c:8]([c:9]([c:10]([c:11]([c:12]1[O:15][C:16]([H:21])([H:22])[C:17]([H:18])([H:19])[H:20])[O:23][C:24]([H:30])([H:31])[C:25](=[O:26])[N:27]([H:28])[H:29])[H:32])[Br:33])[C:7]([H:34])([H:35])[N:5]([H:6])[C:4]([H:36])([H:37])[C:3]([H:38])([H:39])[C:2]([H:40])([H:41])[C:1]([H:42])([H:43])[H:44] | [
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0.483630... | [
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] | [
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350.3092956542969,
299.22537231... |
[H+:42].[H:14][c:13]1[c:8]([c:9]([c:10]([c:11]([c:12]1[O:15][C:16]([H:21])([H:22])[C:17]([H:18])([H:19])[H:20])[O:23][C:24]([H:30])([H:31])[C:25](=[O:26])[N:27]([H:28])[H:29])[H:32])[Br:33])[C:7]([H:34])([H:35])[N:5]([H:6])[C:4]([H:36])([H:37])[C:3]([H:38])([H:39])[C:2]([H:40])([H:41])[C-:1]([H:43])[H:44] | [
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0... | [
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] | [
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250.20152282714844,
312.70... |
[H:14][c:13]1[c:8]([c:9]([c:10]([c:11]([c:12]1[O:15][C:16]([H:21])([H:22])[C:17]([H:18])([H:19])[H:20])[O:23][C:24]([H:30])([H:31])[C:25](=[O:26])[N:27]([H:28])[H:29])[H:32])[Br:33])[C:7]([H:34])([H:35])[N:5]([H:6])[C:4]([H:36])([H:37])[C:3]([H:38])([H:39])[C:2]([H:40])([H:41])[C:1]([H:42])([H:43])[H:44] | [
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1.... | [
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] | [
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6.492... |
[H:14][c:13]1[c:8]([c:9]([c:10]([c:11]([c:12]1[O:15][C:16]([H:21])([H:22])[C:17]([H:18])([H:19])[H:20])[O:23][C:24]([H:30])([H:31])[C:25](=[O:26])[N:27]([H:28])[H:29])[H:32])[Br:33])[C:7]([H:34])([H:35])[N:5]([H:6])[C:4]([H:36])([H:37])[C:3]([H:38])([H:39])[C:2]([H:40])([H:41])[C:1]([H:42])([H:43])[H:44] | [
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... | [
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] | [
1.8522666692733765,
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81.44491577148438,
313.726257... |
[H:14][c:13]1[c:8]([c:9]([c:10]([c:11]([c:12]1[O:15][C:16]([H:21])([H:22])[C:17]([H:18])([H:19])[H:20])[O:23][C:24]([H:30])([H:31])[C:25](=[O:26])[N:27]([H:28])[H:29])[H:32])[Br:33])[C:7]([H:34])([H:35])[N:5]([H:6])[C:4]([H:36])([H:37])[C:3]([H:38])([H:39])[C:2]([H:40])([H:41])[C:1]([H:42])([H:43])[H:44] | [
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0.051394999027... | [
-2192490.75
] | [
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-44.63851547241211,
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118.38695526123047,
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114.55231475830078,
-62.3873291015625,
313.2819824... |
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