0 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 4.96726 9.67592 9.73304 16.0779 14.8927 8.86433 16.8033 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 8.99491 7.89444 5.54343 4.96726 9.67592 5.59762 9.82294 5.9853 5.66803 9.21546 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.85372 13.9588 8.21553 9.64576 7.38797 5.87956 14.5287 6.10737 8.92529 10.2053 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.4551 4.00834 4.83274 8.78063 6.97941 10.2219 7.41861 10.6009 7.48127 14.6364 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 6.68714 9.60462 10.626 12.7328 6.29923 9.42014 12.9747 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 7.15985 9.87475 5.81552 6.71889 7.45389 5.27363 12.7328 6.29923 9.42014 12.5126 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 9.42513 5.88232 8.62711 8.60326 9.30299 10.345 10.7696 11.2447 5.83719 11.2815 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 11.3469 5.99315 5.11989 14.0649 9.02772 5.40826 9.35213 numMergedOcc 0
8 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 6.28065 9.65138 16.5528 25.58 17.1162 7.82201 23.0178 numMergedOcc 0
9 mol 214 unq 1 iso 0 dist 9.51764 18.2005 9.40003 11.2159 7.14453 9.11345 25.58 17.1162 7.82201 15.2631 numMergedOcc 0
10 mol 214 unq 2 iso 0 dist 9.51764 18.2005 9.40003 6.53326 8.85478 16.922 25.58 17.1162 7.82201 23.8076 numMergedOcc 0
11 mol 214 unq 3 iso 0 dist 5.36829 4.87713 9.40003 11.7583 9.65138 16.5528 12.1655 17.1162 7.82201 23.0178 numMergedOcc 0
12 mol 214 unq 4 iso 0 dist 5.36829 4.87713 9.40003 4.98764 7.14453 9.11345 12.1655 17.1162 7.82201 15.2631 numMergedOcc 0
13 mol 214 unq 5 iso 0 dist 5.36829 4.87713 9.40003 12.3481 8.85478 16.922 12.1655 17.1162 7.82201 23.8076 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 6.21233 9.87838 5.29674 9.98251 8.75723 7.48693 12.494 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 4.32403 8.04248 5.52669 10.752 7.41812 4.71683 9.44496 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 9.05929 6.0905 6.73134 4.38595 8.35971 5.27568 10.752 7.41812 4.71683 9.13551 numMergedOcc 0
17 mol 236 unq 2 iso 0 dist 8.90987 7.84468 9.97357 5.26654 8.03456 8.3919 14.6979 13.6195 8.63249 11.8908 numMergedOcc 0
18 mol 236 unq 3 iso 0 dist 8.90987 7.84468 9.97357 3.82437 6.84306 4.88785 14.6979 13.6195 8.63249 12.0498 numMergedOcc 0
19 mol 236 unq 4 iso 0 dist 8.90987 7.84468 9.97357 13.8124 9.99038 10.2557 14.6979 13.6195 8.63249 5.90804 numMergedOcc 0
20 mol 236 unq 5 iso 0 dist 8.90987 7.84468 9.97357 11.2846 9.78037 14.6755 14.6979 13.6195 8.63249 15.4854 numMergedOcc 0
21 mol 236 unq 6 iso 0 dist 8.90987 7.84468 9.97357 16.8883 8.35971 16.5918 14.6979 13.6195 8.63249 16.1665 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 8.40773 4.84498 6.40592 6.72492 7.4631 7.93809 9.12236 7.3737 7.26758 12.8359 numMergedOcc 0
23 mol 241 unq 1 iso 0 dist 9.18476 6.70277 6.40592 9.87799 7.4631 7.93809 12.5814 7.3737 7.26758 12.8359 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 9.73983 11.7215 8.50313 4.49913 8.45658 13.3163 12.7797 6.88989 7.58385 13.5435 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 9.73983 11.7215 8.50313 4.49913 8.45658 13.3163 12.4826 4.25662 6.0437 12.1908 numMergedOcc 0
26 mol 261 unq 2 iso 0 dist 9.73983 13.4973 7.6414 4.49913 8.45658 13.6041 12.4826 4.25662 4.85199 12.1908 numMergedOcc 0
27 mol 261 unq 3 iso 0 dist 9.73983 13.4973 7.6414 4.49913 8.45658 13.6041 21.6189 12.864 9.72159 20.1172 numMergedOcc 0
