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-0.7566107511520386,
3.557121515274048,
0.9985359907150269,
6.35737... |
[H:33][c:22]1[c:23]([c:24]([c:25]([c:20]([c:21]1[H:34])[N:19]([H:35])[C:17](=[O:18])[N:16]([C:36]([H:60])([H:61])[C:37]2=[C:38]([c:39]3[c:40]([c:41]([c:42]([c:43]([c:44]3[N:45]([C:46]2=[O:47])[H:48])[C:49]([H:50])([H:51])[H:52])[H:53])[C:54]([H:55])([H:56])[H:57])[H:58])[H:59])[C:15]([H:62])([H:63])[C@:13]4([C:10]([C:8... | [
-6.940863132476807,
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0.8202059864997864,
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-1.0396180152893066,
-0.21568900346755981,
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1.0436639785766602,
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1.... | [
-937544.75
] | [
6.502048969268799,
-0.725739061832428,
2.5606772899627686,
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1.1539686918258667,
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-2.490415096282959,
-3.5958... |
[H+:36].[H:26][c:25]1[c:24]([c:23]([c:22]([c:21]([c:20]1[C-:19]([H:31])[C:18]2=[C:17]([C:16](=[C:34]([C:32]2([H:33])[H:37])[H:35])/[C:15](=[N+:14](\[H:52])/[N:13]([H:54])[c:4]3[n:5][c:6]([c:7]([c:2]([n:3]3)[C:1]([H:55])([H:56])[H:57])[H:8])[C:9]([H:10])([H:11])[H:12])/[H:53])[N:38]4[C:39]([C:42]([O:43][C:44]([C:45]4([H... | [
-2.1688549518585205,
-2.4307000637054443,
1.5851500034332275,
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0.13920100033283234,
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-0.3189899921417236... | [
-1067224.25
] | [
88.21880340576172,
119.97105407714844,
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-109.80963897705078,
9.868202209472656,
47.01337814331055,
8.844046592712402,
67.63871... |
[H:35][c:24]1[c:25]([c:26]([c:27]([c:22]([c:23]1[H:36])[N:21]([H:37])[C:19](=[O:20])[N:18]([C:38]([H:62])([H:63])[C:39]2=[C:40]([c:41]3[c:42]([c:43]([c:44]([c:45]([c:46]3[N:47]([C:48]2=[O:49])[H:50])[C:51]([H:52])([H:53])[H:54])[C:55]([H:56])([H:57])[H:58])[H:59])[H:60])[H:61])[C:17]([H:64])([H:65])[C@@:7]4([C:8]([C:9]... | [
-4.1430230140686035,
-1.9331170320510864,
1.6109110116958618,
-4.53578519821167,
-1.468485951423645,
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1.6350690126419067,
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0.35... | [
-937540.3125
] | [
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0.4370651841163635,
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2.0352044105529785,
2.8642961978912354,
-3.8899827003479004,
4.3... |
[H:51][c:50]1[c:49]([c:48]([c:47]([c:46]([c:45]1[C:44]([H:57])([H:58])[C@:18]2([C:15]([N:14]=[C:13]3[N:19]2[C:20]([C@:23]([N:12]3[C:11]([H:59])([H:60])[C:8]([H:9])([H:10])[N:6]([H:7])[C:4](=[O:5])/[C:3](=[C:2](\[H:65])/[C:1]([H:66])([H:67])[H:68])/[C:61]([H:62])([H:63])[H:64])([H:42])[C:24]([H:40])([H:41])[c:25]4[c:30]... | [
-6.012197017669678,
-2.215298891067505,
0.6203500032424927,
-5.344018936157227,
-0.8794569969177246,
0.6274809837341309,
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-4.1942620277404785,
1.0323079824447632,
-0.482122004032135,
-3.9500670433044434,
1.6145390272140503,
-... | [
-937511.4375
] | [
0.9125414490699768,
0.7524093985557556,
-0.036530401557683945,
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-3.2814455032348633,
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6.81186580657959,
10.978824615478516,
0.18336112797260284,
-1.0300599336624146,
-6.1... |
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