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[H:29][c:11]1[c:12]([c:13]([c:14]([c:15]([c:10]1[S:7](=[O:8])(=[O:9])[N:6]([C:5]([H:37])([H:38])[C:1]([H:2])([H:3])[H:4])[C:30]([H:35])([H:36])[C:31]([H:32])([H:33])[H:34])[Cl:16])[H:17])[Cl:18])[C:19](=[O:20])[N:21]2[C:22](=[C:23]([C:24](=[N:25]2)[H:26])[H:27])[H:28] | [
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... | [
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6.091609001159668,
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[H:29][c:11]1[c:12]([c:13]([c:14]([c:15]([c:10]1[S:7](=[O:8])(=[O:9])[N:6]([C:5]([H:37])([H:38])[C:1]([H:2])([H:3])[H:4])[C:30]([H:35])([H:36])[C:31]([H:32])([H:33])[H:34])[Cl:16])[H:17])[Cl:18])[C:19](=[O:20])[N:21]2[C:22](=[C:23]([C:24](=[N:25]2)[H:26])[H:27])[H:28] | [
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8.26871395111084,
10.989850... |
[H+:14].[H+:19].[H+:37].[H:18][C-:9]\1[C:10](=[C:11]([C:12](=[C-:13]/[C:8]1=[C:7](/[H:20])\[N:6]2/[C:5](=[S+:21]/[C:22]([H:31])([H:32])[C@@:23]([H:30])([C:26]([H:27])([H:28])[Cl:29])[O:24][H:25])/[C:4](=[N:3][C:2]2=[C:1]([H:36])[H:38])[N:33]([O-:34])[O-:35])[H:15])[Cl:16])[H:17] | [
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-1412143.25
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23.285327911376953,
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215.65817260742188,
169.61273... |
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