0 mol 0 unq 0 iso 0 dist 8.38106 11.108 5.55156 15.2749 7.1599 7.15528 18.0833 12.3538 7.19817 9.6994 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.70193 4.4975 5.55156 10.0671 7.1599 7.15528 10.3354 12.3538 7.19817 9.6994 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.979 4.78943 8.17898 6.36377 5.72175 5.05803 5.48395 10.6491 6.92781 6.31718 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.41134 5.29688 9.05547 6.65344 6.34748 6.85766 13.1729 13.5562 10.0246 7.71095 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.61357 12.0007 9.05547 10.9882 6.34748 6.85766 18.2819 13.5562 10.0246 7.71095 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.61312 7.83419 9.22376 10.7244 5.75796 7.47541 9.21014 9.8682 6.9948 7.97049 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.61312 7.83419 9.22376 6.58793 3.85308 7.66905 10.1919 11.7729 10.7229 7.95579 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 7.61312 7.83419 9.22376 6.58793 3.85308 7.66905 9.21014 9.8682 6.9948 6.19965 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 8.58317 4.70935 7.73139 9.8685 11.0785 9.30299 4.02121 11.1225 7.30196 8.14887 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 5.52891 4.02121 6.65963 9.8685 10.345 8.14887 4.70935 8.62711 7.30196 9.30299 numMergedOcc 0
10 mol 127 unq 2 iso 0 dist 5.52891 4.70935 8.62711 9.8685 10.345 9.30299 4.02121 6.65963 7.30196 8.14887 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.06614 5.27217 7.15203 10.3751 5.38237 7.24514 10.0114 12.6562 6.761 9.91388 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.06614 5.27217 7.15203 10.3751 5.38237 7.24514 7.36833 10.7939 7.6656 9.52634 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 8.06614 5.27217 7.15203 13.2491 9.71227 8.22656 10.2244 11.0475 5.61668 6.82262 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 7.7013 12.3666 6.73365 11.3098 5.73338 5.6234 18.4098 12.3723 6.2715 9.0018 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 7.7013 12.3666 6.73365 11.3098 5.73338 5.6234 12.3067 9.45659 5.35493 6.57069 numMergedOcc 0
16 mol 175 unq 2 iso 0 dist 7.7013 12.3666 6.73365 18.6681 12.753 9.92231 18.4098 12.3723 6.2715 7.652 numMergedOcc 0
17 mol 175 unq 3 iso 0 dist 7.7013 12.3067 9.45659 11.3098 5.73338 6.57069 18.4098 12.3723 8.16421 9.0018 numMergedOcc 0
18 mol 175 unq 4 iso 0 dist 7.7013 12.3067 9.45659 11.3098 5.73338 6.57069 12.3666 6.73365 5.35493 5.6234 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.73634 8.27755 6.86297 10.8878 8.03427 8.87694 10.5476 10.7452 5.74635 7.54065 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 9.73634 8.27755 6.86297 10.8878 8.03427 8.87694 10.176 13.9315 14.9058 9.70748 numMergedOcc 0
21 mol 236 unq 0 iso 0 dist 8.20542 11.2013 9.97357 12.3675 8.3919 8.03456 4.15973 6.36941 7.28249 9.81562 numMergedOcc 0
22 mol 236 unq 1 iso 0 dist 8.20542 11.2013 9.97357 11.0771 4.88785 6.84306 4.15973 6.36941 7.28249 7.68742 numMergedOcc 0
23 mol 236 unq 2 iso 0 dist 8.20542 11.2013 9.97357 5.66569 10.2557 9.99038 4.15973 6.36941 7.28249 6.27581 numMergedOcc 0
24 mol 236 unq 3 iso 0 dist 8.20542 11.2013 9.97357 13.3367 16.5918 8.35971 16.4752 16.6071 7.43758 8.04248 numMergedOcc 0
25 mol 236 unq 4 iso 0 dist 8.20542 4.15973 6.36941 12.3675 8.3919 9.81562 11.2013 9.97357 7.28249 8.03456 numMergedOcc 0
26 mol 236 unq 5 iso 0 dist 8.20542 4.15973 6.36941 11.0771 4.88785 7.68742 11.2013 9.97357 7.28249 6.84306 numMergedOcc 0
27 mol 236 unq 6 iso 0 dist 8.20542 4.15973 6.36941 5.66569 10.2557 6.27581 11.2013 9.97357 7.28249 9.99038 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.17911 17.1229 8.81059 18.9271 9.78068 6.42289 22.9759 14.0712 7.26417 6.60405 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 9.52903 7.52881 8.81059 5.73834 9.78068 6.42289 6.48867 14.0712 7.26417 6.60405 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 8.42335 4.64783 8.58671 11.3408 8.13794 8.04483 14.6346 14.7737 10.0156 8.76532 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 8.42335 4.64783 8.58671 11.3408 8.13794 8.04483 10.0286 11.0247 5.39891 6.33524 numMergedOcc 0
