0 mol 34 unq 0 iso 0 dist 9.81143 9.84195 7.18022 14.4774 7.79336 5.32981 12.188 7.01952 4.55481 4.22398 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.78839 9.84195 6.24711 14.4774 7.08559 5.32981 12.188 4.58552 4.55481 4.22398 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 9.78839 9.84195 6.24711 8.19638 8.63635 8.90278 12.188 4.58552 4.55481 8.82586 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 5.40748 8.17272 7.28228 4.9516 7.11695 5.50513 6.65221 5.40489 5.46827 4.06789 numMergedOcc 0
4 mol 53 unq 1 iso 0 dist 5.40748 8.17272 7.28228 5.25639 7.58093 10.8486 6.65221 5.40489 5.46827 6.57749 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 4.77996 4.34071 5.56994 6.40435 6.12922 6.35364 4.45743 7.31064 6.09562 4.22481 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 8.42219 5.24961 6.39384 10.3316 8.0168 10.7942 8.29196 7.65564 6.95773 5.78043 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 8.42219 11.8122 9.42082 10.3316 8.0168 10.9739 8.29196 7.65564 6.01673 5.78043 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 11.5532 7.43401 5.3585 4.63732 8.62504 8.06642 9.48887 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 8.78303 6.36794 8.69531 11.5532 7.43401 6.74887 4.63732 8.62504 4.00092 9.48887 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 6.93154 5.44003 9.04757 10.2064 5.41078 9.18212 10.5314 7.78784 8.33152 4.23789 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 6.0033 7.56497 9.10817 4.40086 9.27218 5.2908 10.9673 6.69042 9.61454 12.627 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 6.0033 5.66137 6.86828 4.40086 9.27218 6.23998 10.9673 6.69042 7.59871 12.627 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.13727 6.45589 9.12776 13.0115 9.84652 8.82861 3.72761 4.66186 5.71717 9.79637 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 7.13727 12.521 9.72188 13.0115 9.84652 15.5674 3.72761 4.66186 10.4706 9.79637 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 8.56975 9.23693 9.12776 14.0686 9.84652 8.82861 5.17342 4.66186 5.71717 9.79637 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 8.56975 9.18011 9.72188 14.0686 9.84652 15.5674 5.17342 4.66186 10.4706 9.79637 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 8.89714 8.50795 6.31969 14.6301 9.06937 7.00883 12.2057 9.02537 10.2693 14.7645 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 7.78796 6.94727 9.74118 7.69175 6.1905 5.98906 7.45665 6.22943 5.94 6.87619 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 7.78796 6.94727 9.74118 7.69175 6.1905 5.98906 7.02045 9.31056 9.18492 11.493 numMergedOcc 0
