0 mol 18 unq 0 iso 0 dist 9.35863 5.04478 10.6819 9.4067 8.11835 13.5995 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 5.9809 5.83917 5.28474 4.49303 7.99756 4.36087 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 5.83917 5.9809 5.28474 4.49303 4.36087 7.99756 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 5.83917 5.9809 5.28474 6.00525 7.09639 9.86276 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.06516 6.79475 9.56136 7.97596 8.97754 13.5854 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 8.38156 7.79336 13.1232 12.0023 6.52283 16.8828 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 8.38156 7.08559 12.7516 12.0023 6.52283 15.2804 numMergedOcc 0
7 mol 34 unq 2 iso 0 dist 7.79336 8.38156 13.1232 16.3505 9.41098 22.3124 numMergedOcc 0
8 mol 34 unq 3 iso 0 dist 7.79336 7.08559 3.39994 16.3505 9.41098 10.036 numMergedOcc 0
9 mol 39 unq 0 iso 0 dist 7.30265 8.94353 9.75478 10.7428 9.17793 17.0111 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 8.35444 6.52887 13.6068 3.75088 6.23509 10.2632 numMergedOcc 0
11 mol 67 unq 0 iso 0 dist 8.96498 7.5228 15.3956 11.4786 5.88409 18.8599 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 5.4605 9.37102 5.17981 9.32129 8.80645 11.7978 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 5.4605 6.53824 4.85556 9.32129 8.80645 8.39955 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 6.53824 9.37102 9.85358 9.32129 8.39955 11.7978 numMergedOcc 0
15 mol 72 unq 3 iso 0 dist 6.53824 5.4605 4.85556 9.32129 8.39955 8.80645 numMergedOcc 0
16 mol 72 unq 4 iso 0 dist 6.1906 8.8184 5.17981 4.00728 8.80645 11.7978 numMergedOcc 0
17 mol 72 unq 5 iso 0 dist 6.1906 8.70809 4.86472 4.00728 8.80645 9.25711 numMergedOcc 0
18 mol 72 unq 6 iso 0 dist 6.1906 7.67686 4.85556 4.00728 8.80645 8.39955 numMergedOcc 0
19 mol 72 unq 7 iso 0 dist 8.70809 8.8184 8.549 4.00728 9.25711 11.7978 numMergedOcc 0
20 mol 72 unq 8 iso 0 dist 8.70809 6.1906 4.86472 4.00728 9.25711 8.80645 numMergedOcc 0
21 mol 72 unq 9 iso 0 dist 8.70809 7.67686 3.44489 4.00728 9.25711 8.39955 numMergedOcc 0
22 mol 72 unq 10 iso 0 dist 7.67686 8.8184 9.85358 4.00728 8.39955 11.7978 numMergedOcc 0
23 mol 72 unq 11 iso 0 dist 7.67686 6.1906 4.85556 4.00728 8.39955 8.80645 numMergedOcc 0
24 mol 72 unq 12 iso 0 dist 7.67686 8.70809 3.44489 4.00728 8.39955 9.25711 numMergedOcc 0
25 mol 72 unq 13 iso 0 dist 6.7272 7.93683 5.17981 10.0349 8.80645 11.7978 numMergedOcc 0
26 mol 72 unq 14 iso 0 dist 6.7272 7.64009 9.20237 10.0349 8.80645 15.2524 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 6.55202 9.08536 12.7135 3.71283 4.55071 12.3503 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 5.73203 6.57379 4.87973 5.45 6.76852 4.94473 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 6.57379 5.73203 4.87973 5.45 4.94473 6.76852 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 7.46803 8.18023 10.1474 4.19541 6.60366 11.7801 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 6.11135 7.10155 5.31005 8.27947 6.68939 11.7587 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.91356 9.57455 9.9109 16.5061 8.74463 17.5782 numMergedOcc 0
33 mol 254 unq 0 iso 0 dist 9.66641 9.26575 3.42946 6.19835 5.6417 7.42831 numMergedOcc 0
34 mol 254 unq 1 iso 0 dist 9.26575 9.66641 3.42946 6.19835 7.42831 5.6417 numMergedOcc 0
35 mol 272 unq 0 iso 0 dist 8.84523 6.95241 9.5745 9.97731 5.53492 13.6866 numMergedOcc 0
