0 mol 18 unq 0 iso 0 dist 6.39307 4.49033 5.04478 12.7898 11.0746 8.80193 12.5137 10.6819 9.35863 3.84273 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.90986 6.77783 9.06516 8.99751 5.29055 6.15893 13.0329 9.56136 6.79475 6.64374 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.90986 6.77783 9.06516 9.44507 4.76998 5.497 13.0329 9.56136 6.79475 5.39199 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.22183 4.82659 6.79475 8.25567 6.64374 6.15893 12.6141 9.56136 9.06516 5.29055 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.22183 4.82659 6.79475 9.63543 5.39199 5.497 12.6141 9.56136 9.06516 4.76998 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.81143 14.4774 7.79336 15.0961 7.68459 8.90835 21.9556 13.1232 8.38156 10.4006 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.81143 14.4774 7.79336 15.0961 7.68459 8.90835 9.78839 3.39994 7.08559 5.70782 numMergedOcc 0
7 mol 34 unq 2 iso 0 dist 9.78839 14.4774 7.08559 15.0961 5.70782 8.90835 21.9556 12.7516 8.38156 10.4006 numMergedOcc 0
8 mol 34 unq 3 iso 0 dist 9.78839 14.4774 7.08559 15.0961 5.70782 8.90835 9.81143 3.39994 7.79336 7.68459 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 9.01601 15.5086 8.35444 22.7673 14.2005 9.52272 21.5913 13.6068 6.52887 4.72639 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.33961 4.45424 4.44979 8.55509 3.92737 6.0129 10.5543 6.70343 6.61111 3.94967 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.3505 12.8333 6.61111 10.9995 3.94967 6.0129 14.2657 6.70343 4.44979 3.92737 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 9.29816 9.31771 4.44979 12.4401 3.92737 6.0129 12.9554 6.70343 6.61111 3.94967 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 5.08983 9.47873 4.44979 5.94696 3.92737 6.0129 9.58039 6.70343 6.61111 3.94967 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 5.90003 6.02826 6.55202 8.4733 10.3622 7.26955 14.6053 12.7135 9.08536 14.9264 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.78303 11.5532 7.43401 11.9876 6.93712 8.55616 10.6236 5.83782 6.44575 11.5269 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.48993 4.0737 7.30954 9.14629 5.95858 7.80054 11.1687 6.81449 9.1326 5.43662 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 4.95855 4.09442 6.23661 8.90398 4.47425 8.71497 10.7775 8.0048 8.84648 7.57379 numMergedOcc 0
18 mol 292 unq 0 iso 0 dist 7.78796 7.69175 6.1905 6.60049 3.92782 5.7131 11.3673 4.99426 5.84792 5.93687 numMergedOcc 0
19 mol 292 unq 1 iso 0 dist 7.78796 7.69175 6.1905 6.60049 3.92782 5.7131 14.9066 8.21724 8.73515 9.40023 numMergedOcc 0
