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1.3... | [
-706303.125
] | [
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1.4... |
[H:25][c:22]1[c:21]([c:20]([c:19]2[c:18]([c:23]1[H:24])[C@:13]3([C:11](=[O:12])[N:10]([C:15](=[O:16])[N:14]3[H:17])[C:9]([H:37])([H:38])[C:7](=[O:8])[N:6]([H:39])[C:5]([H:40])([H:41])[C:4]([H:42])([H:43])[O:3][C:1]([H:2])([H:44])[H:45])[C:30]([C:29]([C:28]2([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])[H:27])[H:26] | [
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0.275261... | [
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] | [
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176.5583190... |
[H:30][c:25]1[c:26]([c:27]([c:22]([c:23]([c:24]1[H:31])[H:32])[C:21]([H:33])([H:34])[N:14]2[C:12](=[O:13])[C:11](=[C:10]([H:35])[N:9]([H:36])[C:8]([H:37])([H:38])[C:5]([H:6])([H:7])[C:4]([H:39])([H:40])[O:3][C:2]([H:41])([H:42])[C:1]([H:43])([H:44])[H:45])[C:18](=[O:19])[N:17]([C:15]2=[O:16])[H:20])[H:28])[H:29] | [
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[H:12][c:9]1[c:8]([c:7]([c:6]([c:5]([c:10]1[H:11])[O:4][C:1]([H:2])([H:3])[H:45])[H:44])[C:14]([H:42])([H:43])[N:15]([C:16]([H:17])([H:18])[H:19])[C:20]([H:40])([H:41])[C:21](=[O:22])[N:23]([H:39])[C:24](=[O:25])[N:26]([H:27])[C:28]([H:37])([H:38])[C:29]2=[C:30]([C:31](=[C:32]([O:33]2)[H:34])[H:35])[H:36])[H:13] | [
1.4997390508651733,
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-706032.125
] | [
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[H:31][c:19]1[c:20]([c:21]2[c:22]([c:23]([c:18]1[C:15]3=[N:16][O:17][C:13](=[N:14]3)[C:12]([H:32])([H:33])[N:8]4[C:9]([C@:4]([C:5]([C:6]([C:7]4([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[C:3]([H:41])([H:42])[O:2][C:1]([H:43])([H:44])[H:45])([H:10])[H:11])[H:24])[O:25][C:26]([O:27]2)([H:28])[H:29])[H:30] | [
2.433809995651245,
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-0.204201996... | [
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] | [
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[H:39][c:33]1[c:32]([c:31]([c:30]2=[C:28]([N:27]([C:36](=[c:35]2[c:34]1[H:38])[O-:37])[C:26]([H:42])([H:43])[C:25]([H:44])([H:45])[C:2](=[O:1])[N+:3](=[C:5]([H:6])[H:24])[H:4])[O-:29])[H:41])[H:40].[H:22][C:7](=[N+:8]1[C:14]([C:13]([O:12][C:10]([C:9]1([H:20])[H:21])([H:11])[H:19])([H:17])[H:18])([H:15])[H:16])[H:23] | [
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-2.195763111114502... | [
-705871.4375
] | [
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301.71881103515625,
244.6713714... |
[H+:25].[H:13][c:10]1[c:11]([c:6]([c:7]([c:8]([c:9]1[C:14](=[O:15])[C:16]([H:39])([H:40])[C:17]([H:37])([H:38])[N:18]([H:19])[C@:20]([H:21])([C:22](=[O:24])[O-:23])[C:26]([H:35])([H:36])[C:27]2=[C:28]([N:29]=[C:30]([N:31]2[H:32])[H:33])[H:34])[H:41])[H:42])[O:5][C:2]([H:3])([H:4])[C:1]([H:43])([H:44])[H:45])[H:12] | [
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... | [
-706022
] | [
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-78.25715637207031,
-122.18297576904297,
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226.62719... |
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