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[H+:22].[H:11][c:8]1[c:7]([c:6]([c:5]([c:4]([c:9]1[H:10])[O:3][C:1]([H:2])([H:44])[H:45])[H:43])[C:13]2=[N:14][O:15][C:16](=[N:17]2)[C:18]([H:19])([H:20])[C:21](=[C:24]([H:41])[H:42])[H:23])[H:12].[H:34][C:33]1([C:32]([O:31][C:30]([C:28]([N:27]1[C-:25]=[O:26])([H:29])[H:40])([H:38])[H:39])([H:36])[H:37])[H:35] | [
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[H:39][C:33]1=[C:34]([C:35](=[C:36]=[O:37])[C:30](=[C:28]([N:27]=[C:26]([H:42])[H:43])[O-:29])[C:31](=[C:32]1[H:40])[H:41])[H:38].[H:44][C:25](=[C:2]([N+:3](=[C:5]([H:6])[H:24])[H:4])[O-:1])[H:45].[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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[H:39][c:33]1[c:32]([c:31]([c:30]2[c:35]([c:34]1[H:38])[C:36](=[O:37])[N:27]([C:28]2=[O:29])[C:26]([H:42])([H:43])[C:25]([H:44])([H:45])[C:2](=[O:1])[N:3]([H:4])[C:5]([H:6])([H:24])[C:7]([H:22])([H:23])[N:8]3[C:14]([C:13]([O:12][C:10]([C:9]3([H:20])[H:21])([H:11])[H:19])([H:17])[H:18])([H:15])[H:16])[H:41])[H:40] | [
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] | [
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[H+:42].[H:23][c:22]1[c:21]([c:20]2[c:19]([c:18]([c:17]1[N:16]([H:33])[C:14](=[O:15])[N:13]3[C:12]([C:9]([C:8](=[C:6]([O-:7])[O:5][C:2]([H:3])([H:4])[C:1]([H:43])([H:44])[H:45])[C:36]([C:34]3([H:35])[H:39])([H:37])[H:38])([H:10])[H:11])([H:40])[H:41])[H:32])[N:27]=[C:26]([O:25]2)[C:28]([H:29])([H:30])[H:31])[H:24] | [
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0.... | [
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] | [
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[H+:29].[H:18][c:10]1[c:11]([c:12]([c:13]2[c:8]([c:9]1[H:19])[C:7](=[N:6][N:5]([C:14]2=[O:15])[C:4]([H:43])([H:44])[C:1]([H:2])([H:3])[H:45])[C:20](=[O:21])[O:22][C:23]([H:24])([H:25])/[C:26](=[N:28]/[C:30]([H:31])([H:32])[C:33]([H:42])([C:34]([H:35])([H:36])[H:37])[C:38]([H:39])([H:40])[H:41])/[O-:27])[H:16])[H:17] | [
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] | [
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274.7274475097656,
55.807155... |
[H:11][c:8]1[c:7]([c:6]([c:5]([c:4]([c:9]1[H:10])[O:3][C:1]([H:2])([H:44])[H:45])[H:43])[C:13]2=[N:14][O:15][C:16](=[N:17]2)[C:18]([H:19])([H:20])[C:21]([H:22])([H:23])[C:24]([H:41])([H:42])[C:25](=[O:26])[N:27]3[C:33]([C:32]([O:31][C:30]([C:28]3([H:29])[H:40])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:12] | [
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0.2... | [
-705875.0625
] | [
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142.82373046875,
348.4971923... |
[H+:37].[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:7]([C-:6]([C:5]([C@@:4]([C:9]4([H:10])[H:11])([H:40])[C:3]([H:41])([H:42])[O:2][C:1]([H:43])([H:44])[H:45])([H:38])[H:39])[H:36])([H:34])[H:35])[H:24])[O:25][C:26]([O:27]2)([H:28])[H:29])[H:30] | [
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... | [
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] | [
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121.70514678955078,
169.0461883... |
[H+:41].[H:34][c:29]1[c:30]([c:31]([c:26]([c:27]([c:28]1[H:35])[H:36])[N:23]2[C:24](=[O:25])[C@:19]([C:20]([C:21]2=[O:22])([H:37])[H:38])([H:39])[N:12]3[C-:11]([C:9]([N:8]([C:14]([C:13]3([H:17])[H:18])([H:15])[H:16])[C:6](=[O:7])[O:5][C:2]([H:3])([H:4])[C:1]([H:43])([H:44])[H:45])([H:10])[H:42])[H:40])[H:32])[H:33] | [
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... | [
-706006.75
] | [
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-129.1261444091797,
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111.69985961914062,
34.33138656616... |
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