0 mol 18 unq 0 iso 0 dist 8.80193 9.35863 3.84273 5.04478 11.0746 10.6819 9.4067 5.59658 8.11835 13.5995 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.15893 9.06516 5.29055 6.79475 6.64374 9.56136 7.97596 9.82851 8.97754 13.5854 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.497 9.06516 4.76998 6.79475 5.39199 9.56136 7.97596 9.11311 8.97754 13.5854 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 8.90835 8.38156 10.4006 7.79336 7.68459 13.1232 12.0023 11.3867 6.52283 16.8828 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 8.90835 8.38156 10.4006 7.08559 5.70782 12.7516 12.0023 11.3867 6.52283 15.2804 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 8.90835 7.79336 7.68459 8.38156 10.4006 13.1232 16.3505 14.1505 9.41098 22.3124 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 8.90835 7.79336 7.68459 7.08559 5.70782 3.39994 16.3505 14.1505 9.41098 10.036 numMergedOcc 0
7 mol 39 unq 0 iso 0 dist 6.47855 7.30265 3.91611 8.94353 10.5824 9.75478 10.7428 10.6649 9.17793 17.0111 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 9.52272 8.35444 14.2005 6.52887 4.72639 13.6068 3.75088 12.874 6.23509 10.2632 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 9.0008 8.96498 5.26394 7.5228 14.1568 15.3956 11.4786 10.0501 5.88409 18.8599 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.26955 6.55202 10.3622 9.08536 14.9264 12.7135 3.71283 6.21165 4.55071 12.3503 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 6.21403 5.73203 4.07076 6.57379 6.32315 4.87973 5.45 5.13405 6.76852 4.94473 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 6.21403 6.57379 6.32315 5.73203 4.07076 4.87973 5.45 5.13405 4.94473 6.76852 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 9.30424 7.46803 4.06908 8.18023 13.1214 10.1474 4.19541 7.2932 6.60366 11.7801 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 8.52969 6.11135 11.4789 7.10155 7.41775 5.31005 8.27947 16.3531 6.68939 11.7587 numMergedOcc 0
