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[H:22][c:21]1[c:20]([c:19]([c:18]([c:17]([c:16]1[C:15]([H:29])([H:30])[C:13](=[O:14])[N:12]2[C:31]([C:33]([N:8]([C:9]([C:11]2([H:37])[H:38])([H:10])[H:39])[S:5](=[O:6])(=[O:7])[C:1]([H:2])([H:3])[H:4])([H:34])[H:35])([H:32])[H:36])[H:28])[H:27])[N+:24](=[O:26])[O-:25])[H:23] | [
-6.093711853027344,
-0.599265992641449,
0.14693599939346313,
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... | [
-906216.75
] | [
19.298553466796875,
-5.977471351623535,
-1.0395843982696533,
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3.8204188346862793,
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-17.838876724243164,
9.834511756896973,
3.6... |
[H:28][c:11]1[c:12]([c:13]([c:14]([c:15]([c:10]1[N:9]2[C:29]([C:31]([N:4]([C:5]([C:8]2([H:35])[H:36])([H:6])[H:7])[C:2](=[O:3])[C:1]([H:37])([H:38])[H:39])([H:32])[H:33])([H:30])[H:34])[N+:16](=[O:17])[O-:18])[H:19])[S:20](=[O:21])(=[O:22])[C:23]([H:24])([H:25])[H:26])[H:27] | [
4.462917804718018,
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3.5017240047454834,
0.7351170182228088,
-1.0147... | [
-906205.625
] | [
0.14723272621631622,
-2.6389570236206055,
5.021394729614258,
1.679129719734192,
5.155081748962402,
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-5.725806713104248,
0.4385201632976532,
7.609654426574707,
-2.1914234... |
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