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... | [
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] | [
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7.1... |
[H:25][C:9]1=[C:10]2[C@:16]3([C@:18]([O:4]3)([C@:19]([C@:21]([C@:23]2([C:17]([C@@:20]45[C:8]1=[N:2][C@@:15]([C@@:22]4([O:6]5)[C:13]([H:32])([H:33])[H:34])([H:38])[O:3][H:24])([H:40])[H:41])[C:14]([H:35])([H:36])[H:37])([H:44])[C:12]([H:29])([H:30])[H:31])([H:43])[O:5][C:7](=[O:1])[C:11]([H:26])([H:27])[H:28])[H:42])[H:... | [
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2.... | [
-684770.8125
] | [
12.336216926574707,
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19... |
[H:25][C:9]1=[C:10]2[C@:16]3([C@:18]([O:4]3)([C@:19]([C@@:21]([C@@:23]2([C:17]([C@@:20]45[C:8]1=[N:2][C@:15]([C@@:22]4([O:6]5)[C:13]([H:32])([H:33])[H:34])([H:38])[O:3][H:24])([H:40])[H:41])[C:14]([H:35])([H:36])[H:37])([H:44])[C:12]([H:29])([H:30])[H:31])([H:43])[O:5][C:7](=[O:1])[C:11]([H:26])([H:27])[H:28])[H:42])[H... | [
2.0675389766693115,
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0.5117490291595459,
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3.... | [
-684709.8125
] | [
-39.46612548828125,
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16.808080673217773,
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16.025571823120117,
10.334433555603027,
8.22043514251709,
3.7654714584350586,
20.90595... |
[H:28][c:9]1[c:13]2[c:12]([c:8]([c:10]([c:11]1[O:2][H:24])[O:3][C:14]([H:29])([H:30])[H:31])[H:27])[C:17]([N@+:23]3([C@:22]4([C@:20]2([C@:19]([C@@:21]([C:6](=[C:7]4[C:16]([C:18]3([H:39])[H:40])([H:35])[H:36])[H:26])([H:43])[O:5][C:15]([H:32])([H:33])[H:34])([H:41])[O:4][H:25])[H:42])[H:44])[O-:1])([H:37])[H:38] | [
0.6739770174026489,
1.4903169870376587,
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1.2693179845809937,
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1.5966860055923462,
2.3461461067199707,
3.03072190284729,
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2.3621580... | [
-684653
] | [
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-1.2341396808624268,
35.88... |
[H:26][c:9]1[c:13]2[c:14]([c:10]([c:12]([c:11]1[O:2][C:16]([H:28])([H:29])[H:30])[O:3][C:17]([H:31])([H:32])[H:33])[H:27])[C:18]([C:6](=[O:1])[N:15]([C:8](=[C:7]2[H:24])[H:25])[C:22]([H:41])([H:42])[C:23]([H:43])([H:44])[C:21]3([O:4][C:19]([C:20]([O:5]3)([H:38])[H:39])([H:36])[H:37])[H:40])([H:34])[H:35] | [
1.2355929613113403,
1.4078749418258667,
1.96150803565979,
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3.7164950370788574,
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0.6357499957084656,
5.626317977905273,
-1.0... | [
-684794.625
] | [
17.698467254638672,
3.932760000228882,
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3.773205518722534,
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-28.00605583190918,
-1.312766790... |
[H:28][c:9]1[c:13]2[c:12]([c:8]([c:10]([c:11]1[O:2][H:24])[O:3][C:14]([H:29])([H:30])[H:31])[H:27])[C:17]([N@+:23]3([C@:22]4([C@:20]2([C@:19]([C@@:21]([C:6](=[C:7]4[C:16]([C:18]3([H:39])[H:40])([H:35])[H:36])[H:26])([H:43])[O:5][C:15]([H:32])([H:33])[H:34])([H:41])[O:4][H:25])[H:42])[H:44])[O-:1])([H:37])[H:38] | [
-0.9017109870910645,
1.830288052558899,
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-3.9898600578308105,
-0.1983... | [
-684682.8125
] | [
62.72329330444336,
51.18986511230469,
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7.86960506439209,
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6.196018218994141,
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-97.4228515625,
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5.541016578674316,
45.75206756591797,
6.734743595123291,
... |
[H:30][c:17]1[c:16]([c:19]([c:18]([c:21]2[c:20]1[N:25]([C:11](=[O:4])[C@@:26]23[C:15]4=[C:13]([N:24]([C:10](=[O:3])[N:23]([C:9]4=[O:2])[H:34])[H:35])[O:6][C:12](=[C:14]3[C:8](=[O:1])[O:7][C:28]([H:40])([H:41])[C:27]([H:37])([H:38])[H:39])[N:22]([H:32])[H:33])[H:36])[H:31])[F:5])[H:29] | [
2.51487398147583,
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3.375710964202881,
1.6494300365447998,
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2.4515419006347656,
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3.873064... | [
-894841.375
] | [
-30.591093063354492,
27.200960159301758,
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15.619118690490723,
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21.54070281982422,
9.150853157043457,
-14.320427894592285,
1.106069803237915,
-11.283336639404297,
12.00... |
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