0 mol 19 unq 0 iso 0 dist 6.79758 7.99314 8.75001 7.65931 7.84393 12.48 12.7771 9.01721 17.1733 7.82074 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 8.08674 4.77004 7.48127 9.08836 4.83274 10.6009 13.5857 10.2219 14.6364 6.97941 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 6.17589 8.7758 9.41083 6.06993 6.20658 4.45342 6.61066 7.09627 9.28214 4.99221 numMergedOcc 0
3 mol 115 unq 1 iso 0 dist 6.17589 8.7758 9.41083 5.29965 7.83568 11.8582 6.3982 7.10772 14.3348 5.11551 numMergedOcc 0
4 mol 115 unq 2 iso 0 dist 6.17589 8.7758 9.41083 5.29965 7.83568 11.8582 11.6013 11.3906 18.1828 7.11972 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 8.97036 12.389 6.94745 13.8837 6.495 5.28089 18.8197 10.0823 11.9102 7.7059 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 9.6112 9.53483 6.87456 8.99682 5.30872 8.03483 11.3052 6.3915 12.5106 5.99315 numMergedOcc 0
7 mol 143 unq 1 iso 0 dist 7.88346 5.57673 5.40826 12.628 7.5984 9.02772 12.8356 5.11989 9.35213 5.99315 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 9.64006 17.9836 9.89039 15.7646 8.9077 13.6952 18.1733 10.6943 15.6403 9.23153 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 9.64006 17.9836 9.89039 15.7646 8.9077 13.6952 20.0689 15.396 21.5268 8.24498 numMergedOcc 0
10 mol 220 unq 2 iso 0 dist 9.64006 4.47683 8.57174 15.7646 8.9077 13.8822 18.1733 10.6943 18.2814 9.23153 numMergedOcc 0
11 mol 220 unq 3 iso 0 dist 9.64006 4.47683 8.57174 15.7646 8.9077 13.8822 20.0689 15.396 19.4468 8.24498 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 5.95601 4.47956 7.48693 6.23286 8.0007 8.75723 9.67544 5.29674 12.494 9.87838 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 7.73969 11.1044 4.71683 5.81354 6.73134 7.41812 6.67907 5.52669 9.44496 8.04248 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 7.73969 11.1044 4.71683 5.81354 6.73134 7.41812 6.0087 5.27568 9.13551 8.35971 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 9.82576 5.44852 7.26758 6.14115 6.40592 7.3737 11.7866 7.93809 12.8359 7.4631 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 6.92271 4.00063 8.15119 4.83355 8.35794 7.94155 6.86014 5.77904 4.81916 9.7748 numMergedOcc 0
17 mol 277 unq 1 iso 0 dist 8.62666 9.31316 8.15119 11.2857 8.35794 7.94155 5.97073 5.77904 4.81916 9.7748 numMergedOcc 0
