0 mol 25 unq 0 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 6.22122 4.33106 5.68041 7.17969 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 9.22151 4.33106 5.18617 7.57578 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 12.3223 10.7394 4.27726 8.8178 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 5.70279 5.33144 5.47563 7.47343 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 8.96916 5.30117 6.30222 5.92158 6.45675 5.35782 9.71692 9.71151 5.03232 8.86688 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 8.96916 5.33144 6.30222 6.45675 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 9.71692 10.1407 5.03232 8.86688 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 8.81172 8.54233 6.57678 5.34484 9.84395 6.10127 11.6152 13.1058 10.5783 7.90328 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.79004 4.79003 6.9945 7.33132 8.22656 7.22643 8.43069 5.61668 4.19723 6.82262 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.43069 4.79003 4.19723 7.33132 6.82262 7.22643 9.79004 5.61668 6.9945 8.22656 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 10.5719 5.50998 5.81599 7.73169 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 7.15087 5.90339 4.67662 8.68855 9.2313 7.81207 15.3413 11.1395 11.1 8.96657 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 7.15087 5.90339 4.67662 5.50176 5.31024 6.14151 10.5719 5.50998 5.81599 7.26382 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 5.68636 8.14405 4.91785 7.92939 6.43582 8.97626 12.7322 7.66392 9.16779 7.46303 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 10.1632 5.0744 5.76843 6.60589 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 10.1632 5.0744 5.76843 9.16166 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 7.75485 5.60236 4.54188 5.81334 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 7.75485 5.31916 4.54188 5.99647 5.81334 6.8692 9.73411 5.60236 7.05804 5.78342 numMergedOcc 0
18 mol 224 unq 4 iso 0 dist 7.75485 5.31916 4.54188 5.99647 5.81334 6.8692 10.1632 6.91102 5.76843 9.16166 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.75874 6.95658 6.73882 5.20592 8.53687 9.07743 10.9903 10.582 8.8603 8.13497 numMergedOcc 0
20 mol 276 unq 0 iso 0 dist 8.79189 8.51449 8.26321 6.33662 6.87396 8.6759 13.9936 6.88557 9.39944 9.8993 numMergedOcc 0
