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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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[H:17][c:14]1[c:13]([c:12]([c:11]([c:10]([c:15]1[H:16])[N:9]([H:35])[C:7](=[O:8])[C:6]([H:43])([C:36]([H:41])([H:42])[C:37]([H:38])([H:39])[H:40])[C:3]([H:4])([H:5])[C:1]([H:2])([H:44])[H:45])[H:34])[C:19](=[O:20])[N:21]([H:22])[C:23]([H:32])([H:33])[C:24]2=[C:25]([C:26](=[C:27]([O:28]2)[H:29])[H:30])[H:31])[H:18] | [
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] | [
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[H+:26].[H+:28].[H:16][C-:13]1[C+:14]([C-:4]([C+:5]([C-:6]2[C+:12]1[C-:11]([C+:10]([C+:8]([N:7]2[H:42])[O-:9])[C:18]([H:19])([H:20])[C:21]([H:40])([H:41])[N:22]([H:39])[C-:23]([C+:25]3[C-:27]([C:30]([C:31]([C:32]3([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])[H:29])[O-:24])[H:17])[H:43])[O:3][C:1]([H:2])([H:44])[H:45])[... | [
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-648731.5
] | [
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73.105... |
[H+:38].[H:41][c:7]1[c:6]([c:5]([c:4]([c:9]([c:8]1[H:40])/[C:10](=[N+:11](\[H:37])/[C:12](=[O:13])[C:14]2=[C:15]([C:16](=[C:17]([N:18]2[H:19])[H:20])[C:21](=[O:22])[C:23]([H:34])([H:35])[C-:24]([H:33])[C:29]([H:30])([H:31])[H:32])[H:36])/[H:39])[O:3][C:1]([H:2])([H:44])[H:45])[H:43])[H:42].[H:26][C-:25]([H:27])[H:28] | [
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] | [
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44.37712478637695,
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[H:13][c:10]1[c:11]([c:6]([c:7]([c:8]([c:9]1[C:14]([H:15])([H:16])[C:17]([H:33])([H:34])[C:18](=[O:19])[N:20]([H:32])/[N:21]=[C:22](\[H:31])/[C:23]2=[C:24]([C:25](=[C:26]([O:27]2)[H:28])[H:29])[H:30])[H:35])[H:36])[O:5][C:4]([H:37])([H:38])[C:3]([H:39])([H:40])[C:2]([H:41])([H:42])[C:1]([H:43])([H:44])[H:45])[H:12] | [
-5.917993068695068,
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] | [
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[H:12][c:11]1[c:10]([c:9]([c:8]([c:7]([c:6]1[C:5]([C:1]([H:2])([H:3])[H:4])([C:38]([H:39])([H:40])[H:41])[C:42]([H:43])([H:44])[H:45])[H:37])[H:36])[N:14]([H:35])[C:15](=[O:16])[C:17]([H:18])([H:19])[C:20]([H:33])([H:34])[N:21]([H:32])[C:22](=[O:23])[C:24]2=[C:25]([C:26](=[C:27]([O:28]2)[H:29])[H:30])[H:31])[H:13] | [
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-1.282734990119934,
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... | [
-649080.3125
] | [
3.7064175605773926,
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[H:23][c:17]1[c:18]([c:19]([c:20]2[c:15]([c:16]1[H:24])[C:14](=[C:13]([N:12]2[C:11]([H:36])([H:37])[C:9](=[O:10])[N:8]([H:38])[C:7]([H:39])([H:40])[C:5]([H:6])([H:41])[C:4]([H:42])([H:43])[O:3][C:1]([H:2])([H:44])[H:45])[H:35])[C:25](=[O:26])[C:27]3([C:29]([C:28]3([H:32])[H:33])([H:30])[H:31])[H:34])[H:21])[H:22] | [
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1.612233042... | [
-649048.8125
] | [
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5.896229267120361,
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