0 mol 16 unq 0 iso 0 dist 9.45103 12.5048 8.43054 8.82587 4.65873 6.31718 17.6238 9.81307 7.63133 10.8455 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 9.45103 12.5048 8.43054 17.6238 9.81307 7.63133 8.82587 4.65873 6.31718 10.8455 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.95169 4.96681 9.48085 9.22151 5.18617 7.57578 6.22122 5.68041 7.17969 4.33106 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 9.95169 4.96681 9.48085 6.22122 5.68041 7.17969 9.22151 5.18617 7.57578 4.33106 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.16985 11.6369 7.12321 12.3223 4.27726 8.8178 6.7212 7.47371 9.96708 10.7394 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 8.16985 11.6369 7.12321 6.7212 7.47371 9.96708 12.3223 4.27726 8.8178 10.7394 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.30117 5.92158 5.35782 8.96916 6.30222 6.45675 5.70279 5.47563 7.47343 5.33144 numMergedOcc 0
7 mol 100 unq 0 iso 1 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 8.96916 6.30222 6.45675 5.33144 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.30117 5.92158 5.35782 8.96916 6.30222 6.45675 9.71692 5.03232 8.86688 9.71151 numMergedOcc 0
9 mol 100 unq 1 iso 1 dist 5.30117 5.92158 5.35782 9.71692 5.03232 8.86688 8.96916 6.30222 6.45675 9.71151 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 5.30117 5.92158 5.35782 5.70279 5.47563 7.47343 9.71692 5.03232 8.86688 10.1407 numMergedOcc 0
11 mol 100 unq 1 iso 1 dist 5.30117 5.92158 5.35782 9.71692 5.03232 8.86688 5.70279 5.47563 7.47343 10.1407 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 8.54233 5.34484 6.10127 8.81172 6.57678 9.84395 11.6152 10.5783 7.90328 13.1058 numMergedOcc 0
13 mol 117 unq 0 iso 1 dist 8.54233 5.34484 6.10127 11.6152 10.5783 7.90328 8.81172 6.57678 9.84395 13.1058 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 4.79003 7.33132 7.22643 9.79004 6.9945 8.22656 8.43069 4.19723 6.82262 5.61668 numMergedOcc 0
15 mol 133 unq 0 iso 1 dist 4.79003 7.33132 7.22643 8.43069 4.19723 6.82262 9.79004 6.9945 8.22656 5.61668 numMergedOcc 0
16 mol 142 unq 0 iso 0 dist 5.90339 8.68855 7.81207 7.15087 4.67662 9.2313 10.5719 5.81599 7.73169 5.50998 numMergedOcc 0
17 mol 142 unq 0 iso 1 dist 5.90339 8.68855 7.81207 10.5719 5.81599 7.73169 7.15087 4.67662 9.2313 5.50998 numMergedOcc 0
18 mol 142 unq 1 iso 0 dist 5.90339 8.68855 7.81207 7.15087 4.67662 9.2313 15.3413 11.1 8.96657 11.1395 numMergedOcc 0
19 mol 142 unq 1 iso 1 dist 5.90339 8.68855 7.81207 15.3413 11.1 8.96657 7.15087 4.67662 9.2313 11.1395 numMergedOcc 0
20 mol 142 unq 1 iso 0 dist 5.90339 8.68855 7.81207 10.5719 5.81599 7.73169 15.3413 11.1 8.96657 5.92693 numMergedOcc 0
21 mol 142 unq 1 iso 1 dist 5.90339 8.68855 7.81207 15.3413 11.1 8.96657 10.5719 5.81599 7.73169 5.92693 numMergedOcc 0
22 mol 142 unq 2 iso 0 dist 5.90339 5.50176 6.14151 7.15087 4.67662 5.31024 10.5719 5.81599 7.26382 5.50998 numMergedOcc 0
23 mol 142 unq 2 iso 1 dist 5.90339 5.50176 6.14151 10.5719 5.81599 7.26382 7.15087 4.67662 5.31024 5.50998 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 8.14405 7.92939 8.97626 12.7322 9.16779 7.46303 5.68636 4.91785 6.43582 7.66392 numMergedOcc 0
25 mol 155 unq 0 iso 1 dist 8.14405 7.92939 8.97626 5.68636 4.91785 6.43582 12.7322 9.16779 7.46303 7.66392 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 6.91906 5.68711 7.46481 13.6328 11.4955 9.65138 11.6154 8.459 7.14453 9.10746 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 6.91906 5.68711 7.46481 11.6154 8.459 7.14453 13.6328 11.4955 9.65138 9.10746 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 6.91906 5.68711 7.46481 13.6328 11.4955 9.65138 11.5105 11.1534 8.85478 4.40923 numMergedOcc 0
29 mol 214 unq 1 iso 1 dist 6.91906 5.68711 7.46481 11.5105 11.1534 8.85478 13.6328 11.4955 9.65138 4.40923 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 6.91906 5.68711 7.46481 11.6154 8.459 7.14453 11.5105 11.1534 8.85478 11.3796 numMergedOcc 0
31 mol 214 unq 1 iso 1 dist 6.91906 5.68711 7.46481 11.5105 11.1534 8.85478 11.6154 8.459 7.14453 11.3796 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 5.31916 9.81806 8.79428 9.73411 7.05804 6.57273 10.1632 5.76843 6.60589 5.0744 numMergedOcc 0
33 mol 224 unq 0 iso 1 dist 5.31916 9.81806 8.79428 10.1632 5.76843 6.60589 9.73411 7.05804 6.57273 5.0744 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 5.31916 5.99647 6.8692 9.73411 7.05804 5.78342 10.1632 5.76843 9.16166 5.0744 numMergedOcc 0
35 mol 224 unq 1 iso 1 dist 5.31916 5.99647 6.8692 10.1632 5.76843 9.16166 9.73411 7.05804 5.78342 5.0744 numMergedOcc 0
36 mol 224 unq 2 iso 0 dist 5.31916 5.99647 6.8692 9.73411 7.05804 5.78342 7.75485 4.54188 5.81334 5.60236 numMergedOcc 0
37 mol 224 unq 2 iso 1 dist 5.31916 5.99647 6.8692 7.75485 4.54188 5.81334 9.73411 7.05804 5.78342 5.60236 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 5.31916 5.99647 6.8692 10.1632 5.76843 9.16166 7.75485 4.54188 5.81334 6.91102 numMergedOcc 0
39 mol 224 unq 2 iso 1 dist 5.31916 5.99647 6.8692 7.75485 4.54188 5.81334 10.1632 5.76843 9.16166 6.91102 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 6.95658 5.20592 9.07743 5.75874 6.73882 8.53687 10.9903 8.8603 8.13497 10.582 numMergedOcc 0
41 mol 259 unq 0 iso 1 dist 6.95658 5.20592 9.07743 10.9903 8.8603 8.13497 5.75874 6.73882 8.53687 10.582 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 6.95658 6.80302 7.66153 10.9903 8.8603 7.88519 10.8535 5.8801 7.84554 4.86771 numMergedOcc 0
43 mol 259 unq 1 iso 1 dist 6.95658 6.80302 7.66153 10.8535 5.8801 7.84554 10.9903 8.8603 7.88519 4.86771 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 6.95658 6.80302 7.66153 10.9903 8.8603 7.88519 13.7903 11.8896 7.46176 6.96053 numMergedOcc 0
45 mol 259 unq 2 iso 1 dist 6.95658 6.80302 7.66153 13.7903 11.8896 7.46176 10.9903 8.8603 7.88519 6.96053 numMergedOcc 0
46 mol 259 unq 3 iso 0 dist 6.95658 6.80302 7.66153 10.9903 8.8603 7.88519 11.7532 5.81576 9.18903 10.4881 numMergedOcc 0
47 mol 259 unq 3 iso 1 dist 6.95658 6.80302 7.66153 11.7532 5.81576 9.18903 10.9903 8.8603 7.88519 10.4881 numMergedOcc 0
48 mol 259 unq 2 iso 0 dist 6.95658 6.80302 7.66153 10.8535 5.8801 7.84554 13.7903 11.8896 7.46176 7.64658 numMergedOcc 0
49 mol 259 unq 2 iso 1 dist 6.95658 6.80302 7.66153 13.7903 11.8896 7.46176 10.8535 5.8801 7.84554 7.64658 numMergedOcc 0
50 mol 259 unq 3 iso 0 dist 6.95658 6.80302 7.66153 10.8535 5.8801 7.84554 11.7532 5.81576 9.18903 5.87173 numMergedOcc 0
51 mol 259 unq 3 iso 1 dist 6.95658 6.80302 7.66153 11.7532 5.81576 9.18903 10.8535 5.8801 7.84554 5.87173 numMergedOcc 0
52 mol 259 unq 3 iso 0 dist 6.95658 6.80302 7.66153 13.7903 11.8896 7.46176 11.7532 5.81576 9.18903 10.5239 numMergedOcc 0
53 mol 259 unq 3 iso 1 dist 6.95658 6.80302 7.66153 11.7532 5.81576 9.18903 13.7903 11.8896 7.46176 10.5239 numMergedOcc 0
54 mol 276 unq 0 iso 0 dist 8.51449 6.33662 8.6759 13.9936 9.39944 9.8993 8.79189 8.26321 6.87396 6.88557 numMergedOcc 0
55 mol 276 unq 0 iso 1 dist 8.51449 6.33662 8.6759 8.79189 8.26321 6.87396 13.9936 9.39944 9.8993 6.88557 numMergedOcc 0
56 mol 276 unq 1 iso 0 dist 7.70127 9.58401 8.6759 12.5562 9.39944 9.8993 13.4249 8.26321 6.87396 6.88557 numMergedOcc 0
57 mol 276 unq 1 iso 1 dist 7.70127 9.58401 8.6759 13.4249 8.26321 6.87396 12.5562 9.39944 9.8993 6.88557 numMergedOcc 0
