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-13.146766662597656,
44.413047790527344,
21.422832489013672,
9.631319046020508,
4.4799275398254395,
4.4598... |
[H:25][c:13]1[c:14]([c:15]2[c:12]([n:4][c:11]1[C:3]#[C:2][C:8]3=[C:10]([C:9](=[C:7]([S:5]3)[H:22])[H:23])[H:24])[C:19]([C:20]([N:16]([C:6]2=[O:1])[C:21]([H:37])([C:17]([H:27])([H:28])[H:29])[C:18]([H:30])([H:31])[H:32])([H:35])[H:36])([H:33])[H:34])[H:26] | [
-2.8077309131622314,
-0.7577670216560364,
0.4111500084400177,
3.753046989440918,
1.0430469512939453,
-2.5879809856414795,
2.7514491081237793,
0.6219819784164429,
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1.4945130348205566,
0.7625749707221985,
-0.045458998531103134,
4.92874813079834,
2.5372250080108643,
-4.44... | [
-778257.6875
] | [
-58.13057327270508,
-30.651708602905273,
-41.50709915161133,
-46.38677215576172,
-31.28427505493164,
35.383270263671875,
41.02362060546875,
21.113815307617188,
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-3.802809476852417,
-3.2185282707214355,
-19.14407730102539,
49.87569046020508,
10.10057258605957,
10.524349... |
[H:22][c:5]1[c:6]([c:10]([c:14]([c:11]([c:7]1[H:24])[H:28])[N:17]([H:31])[C:3](=[O:1])[C@@:21]2([c:16]3[c:13]([c:9]([c:8]([c:12]([c:15]3[N:18]([C:4]2=[S:2])[C:19]([H:32])([H:33])[H:34])[H:29])[H:25])[H:26])[H:30])[C:20]([H:35])([H:36])[H:37])[H:27])[H:23] | [
-0.7657070159912109,
2.1188910007476807,
1.6019530296325684,
1.1545230150222778,
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1.1351759433746338,
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1.866683006286621,
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0.032354000955820084,
-0.4... | [
-778303.75
] | [
-2.1526944637298584,
-28.607128143310547,
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2.6193742752075195,
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-30.198740005493164,
3.8890483379364014,
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3.0... |
[H:22][c:5]1[c:6]([c:10]([c:14]([c:11]([c:7]1[H:24])[H:28])[N:17]([H:31])[C:3](=[O:1])[C@:21]2([c:16]3[c:13]([c:9]([c:8]([c:12]([c:15]3[N:18]([C:4]2=[S:2])[C:19]([H:32])([H:33])[H:34])[H:29])[H:25])[H:26])[H:30])[C:20]([H:35])([H:36])[H:37])[H:27])[H:23] | [
0.7644810080528259,
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2.0233399868011475,
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1.3353509902954102,
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-1.723031997680664,
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4.247769832611084,
3.... | [
-778343.0625
] | [
-5.4517621994018555,
-11.179056167602539,
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30.111717224121094,
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37.181888580322266,
12.475310325622559,
-47.70450592... |
[H:25][c:13]1[c:14]([c:15]2[c:12]([n:4][c:11]1[C:3]#[C:2][C:8]3=[C:10]([C:9](=[C:7]([S:5]3)[H:22])[H:23])[H:24])[C:19]([C:20]([N:16]([C:6]2=[O:1])[C:21]([H:37])([C:17]([H:27])([H:28])[H:29])[C:18]([H:30])([H:31])[H:32])([H:35])[H:36])([H:33])[H:34])[H:26] | [
3.5384140014648438,
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1.0611950159072876,
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4.... | [
-778294.0625
] | [
-30.866621017456055,
33.142608642578125,
4.430351734161377,
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5.945805072784424,
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-10.282299041748047,
-33.61979675292969,
-9.449873... |
[H:25][c:13]1[c:14]([c:15]2[c:12]([n:4][c:11]1[C:3]#[C:2][C:8]3=[C:10]([C:9](=[C:7]([S:5]3)[H:22])[H:23])[H:24])[C:19]([C:20]([N:16]([C:6]2=[O:1])[C:21]([H:37])([C:17]([H:27])([H:28])[H:29])[C:18]([H:30])([H:31])[H:32])([H:35])[H:36])([H:33])[H:34])[H:26] | [
-2.8089230060577393,
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0.055077001452445984,
3.1067869663238525,
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1.583008050918579,
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0.708968997001648,
5.827932834625244,
3.427488088607788,
3.37331891... | [
-778293.5625
] | [
16.527355194091797,
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1.646750807762146,
5.674767971038818,
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26.384138107299805,
12.3281497955322... |
[H:25][c:13]1[c:14]([c:15]2[c:12]([n:4][c:11]1[C:3]#[C:2][C:8]3=[C:10]([C:9](=[C:7]([S:5]3)[H:22])[H:23])[H:24])[C:19]([C:20]([N:16]([C:6]2=[O:1])[C:21]([H:37])([C:17]([H:27])([H:28])[H:29])[C:18]([H:30])([H:31])[H:32])([H:35])[H:36])([H:33])[H:34])[H:26] | [
-0.853983998298645,
1.2896740436553955,
3.879117012023926,
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0.28627198934555054,
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-5.85... | [
-778261.375
] | [
13.292975425720215,
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11.809457778930664,
3.7534022331237793,
29.771455764770508,
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-27.981313705444336,
34.... |
[H:25][c:13]1[c:14]([c:15]2[c:12]([n:4][c:11]1[C:3]#[C:2][C:8]3=[C:10]([C:9](=[C:7]([S:5]3)[H:22])[H:23])[H:24])[C:19]([C:20]([N:16]([C:6]2=[O:1])[C:21]([H:37])([C:17]([H:27])([H:28])[H:29])[C:18]([H:30])([H:31])[H:32])([H:35])[H:36])([H:33])[H:34])[H:26] | [
-0.6626359820365906,
2.713718891143799,
2.8991219997406006,
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-4.4750... | [
-778296.625
] | [
-26.072555541992188,
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13.353388786315918,
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2.883977174758911,
20.45808982849121,
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-0.3721... |
[H:22][c:5]1[c:6]([c:10]([c:14]([c:11]([c:7]1[H:24])[H:28])[N:17]([H:31])[C:3](=[O:1])[C@@:21]2([c:16]3[c:13]([c:9]([c:8]([c:12]([c:15]3[N:18]([C:4]2=[S:2])[C:19]([H:32])([H:33])[H:34])[H:29])[H:25])[H:26])[H:30])[C:20]([H:35])([H:36])[H:37])[H:27])[H:23] | [
-0.5158439874649048,
0.008534999564290047,
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1.057412028312683,
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4.307754039764404,
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-3... | [
-778299.9375
] | [
-5.131897926330566,
-11.506406784057617,
13.330046653747559,
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1.919615387916565,
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20.60873794555664,
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19.51422119140625,
75.47349548339844,
36.7526741027832,
-8.424493789672852,
73.904922485... |
[H:22][c:5]1[c:6]([c:10]([c:14]([c:11]([c:7]1[H:24])[H:28])[N:17]([H:31])[C:3](=[O:1])[C@@:21]2([c:16]3[c:13]([c:9]([c:8]([c:12]([c:15]3[N:18]([C:4]2=[S:2])[C:19]([H:32])([H:33])[H:34])[H:29])[H:25])[H:26])[H:30])[C:20]([H:35])([H:36])[H:37])[H:27])[H:23] | [
-0.8130229711532593,
1.3598790168762207,
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0.555853009223938,
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1.0296920537948608,
1.3... | [
-778344.75
] | [
3.0918469429016113,
-14.868390083312988,
1.6233487129211426,
14.60302448272705,
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50.82490158081055,
5.723794460296631,
9.012228012084961,
-1.750658... |
[H:22][c:5]1[c:6]([c:10]([c:14]([c:11]([c:7]1[H:24])[H:28])[N:17]([H:31])[C:3](=[O:1])[C@:21]2([c:16]3[c:13]([c:9]([c:8]([c:12]([c:15]3[N:18]([C:4]2=[S:2])[C:19]([H:32])([H:33])[H:34])[H:29])[H:25])[H:26])[H:30])[C:20]([H:35])([H:36])[H:37])[H:27])[H:23] | [
1.7713069915771484,
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0.03581999987363815,
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4.11530876159668,
2.666821002960205,
2.1682... | [
-778296.1875
] | [
13.73013687133789,
-0.17210650444030762,
-17.134281158447266,
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16.80742645263672,
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48.20275115966797,
-50.117366790771484,
-9.786843299865723,
-19.811952590942383,
-8.106... |
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