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[H:28][c:13]1[c:12]([c:16]([c:14]([c:18]2[c:17]1[C:22]([C:24]([C:25]([C@:23]2([H:34])[N:20]3[c:11]4[c:15]([c:10]([n:5][c:9]([n:6]4)[N:19]([H:30])[H:31])[O:7][H:26])[N:4]=[C:8]3[Br:3])([H:37])[H:38])([H:35])[H:36])([H:32])[H:33])[H:29])[N+:21](=[O:2])[O-:1])[H:27] | [
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1.6999... | [
-2326537.5
] | [
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[H:28][c:13]1[c:12]([c:16]([c:14]([c:18]2[c:17]1[C:22]([C:24]([C:25]([C@@:23]2([H:34])[N:20]3[c:11]4[c:15]([c:10]([n:5][c:9]([n:6]4)[N:19]([H:30])[H:31])[O:7][H:26])[N:4]=[C:8]3[Br:3])([H:37])[H:38])([H:35])[H:36])([H:32])[H:33])[H:29])[N+:21](=[O:1])[O-:2])[H:27] | [
2.943696975708008,
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-2326542.5
] | [
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[H:28][c:13]1[c:12]([c:16]([c:14]([c:18]2[c:17]1[C:22]([C:24]([C:25]([C@@:23]2([H:34])[N:20]3[c:11]4[c:15]([c:10]([n:5][c:9]([n:6]4)[N:19]([H:30])[H:31])[O:7][H:26])[N:4]=[C:8]3[Br:3])([H:37])[H:38])([H:35])[H:36])([H:32])[H:33])[H:29])[N+:21](=[O:2])[O-:1])[H:27] | [
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3.12... | [
-2326573.25
] | [
43.047874450683594,
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33.8505... |
[H:28][c:13]1[c:12]([c:16]([c:14]([c:18]2[c:17]1[C:22]([C:24]([C:25]([C@@:23]2([H:34])[N:20]3[c:11]4[c:15]([c:10]([n:5][c:9]([n:6]4)[N:19]([H:30])[H:31])[O:7][H:26])[N:4]=[C:8]3[Br:3])([H:37])[H:38])([H:35])[H:36])([H:32])[H:33])[H:29])[N+:21](=[O:2])[O-:1])[H:27] | [
-4.2220330238342285,
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... | [
-2326516.75
] | [
46.73666000366211,
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106.23704528808594,
61.11872863... |
[H:28][c:13]1[c:12]([c:16]([c:14]([c:18]2[c:17]1[C:22]([C:24]([C:25]([C@:23]2([H:34])[N:20]3[c:11]4[c:15]([c:10]([n:5][c:9]([n:6]4)[N:19]([H:30])[H:31])[O:7][H:26])[N:4]=[C:8]3[Br:3])([H:37])[H:38])([H:35])[H:36])([H:32])[H:33])[H:29])[N+:21](=[O:1])[O-:2])[H:27] | [
0.5773000121116638,
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-4.4... | [
-2326518.25
] | [
56.22941207885742,
31.55558967590332,
5.880543231964111,
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3.217022180557251,
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-90.47059631347656,
1.5203304290771484,
22.77957153... |
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