0 mol 0 unq 0 iso 0 dist 6.99594 12.7893 7.92928 12.3865 7.02374 9.19007 19.5715 13.7401 13.6767 7.20999 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.86938 11.4765 8.94096 17.0203 12.8924 7.3915 18.6112 16.8048 9.91124 4.92734 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.16743 12.3138 9.07858 7.46102 4.85329 7.3915 3.69663 7.77271 9.91124 4.92734 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.77049 5.3866 9.82483 11.8248 13.5628 7.05346 6.70234 12.374 6.84888 9.16444 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.95341 6.49896 9.82483 10.068 13.5628 7.05346 5.56616 12.374 6.84888 9.16444 numMergedOcc 0
5 mol 13 unq 0 iso 0 dist 9.37413 10.8881 8.00865 15.5309 13.1699 5.78148 12.053 13.2798 6.00386 6.44408 numMergedOcc 0
6 mol 13 unq 1 iso 0 dist 9.18487 10.8881 9.11447 15.5309 11.1987 5.78148 12.053 11.6517 6.00386 6.44408 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 7.7868 5.19508 7.61055 10.8072 9.87119 5.69955 9.86867 12.9685 6.81213 7.51406 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 5.67098 7.39536 5.86571 14.0262 10.9467 6.77886 9.54292 9.50913 6.5705 8.96238 numMergedOcc 0
9 mol 56 unq 1 iso 0 dist 8.58218 11.4735 5.86571 17.7498 10.9467 6.77886 11.7756 9.50913 6.5705 8.96238 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.95838 5.47002 5.85818 13.3689 10.6679 8.56342 10.0767 12.5653 8.9683 8.62648 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 9.47892 13.8865 5.85818 19.5006 10.6679 8.56342 21.7664 12.5653 8.9683 8.62648 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 8.91189 6.23157 7.13269 7.97007 4.57561 7.25742 5.21344 10.4366 9.78249 7.47975 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 8.27907 5.77167 6.86795 6.9398 11.4148 9.20961 6.7488 13.6078 11.3699 4.851 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 7.90156 12.2629 6.61099 18.6994 12.7963 9.20961 21.9862 16.4932 11.3699 4.851 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.46582 12.2456 7.61203 12.9412 11.6239 5.52379 16.5471 14.4733 8.09178 9.38753 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.77231 12.2456 9.47845 12.9412 13.9614 5.52379 16.5471 13.4578 8.09178 9.38753 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 7.96197 9.92633 9.42618 10.9696 13.0842 6.66971 6.9611 11.8385 6.85179 5.67917 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 7.96197 9.92633 9.42618 14.6908 15.3074 6.4398 6.9611 11.8385 6.85179 8.96639 numMergedOcc 0
