0 mol 81 unq 0 iso 0 dist 7.91009 4.95504 3.3881 6.17229 5.77889 5.70283 numMergedOcc 0
1 mol 81 unq 1 iso 0 dist 7.91009 4.95504 3.3881 8.36931 6.91587 7.16741 numMergedOcc 0
2 mol 81 unq 2 iso 0 dist 4.39121 4.95504 3.93741 6.17229 8.22976 5.70283 numMergedOcc 0
3 mol 81 unq 3 iso 0 dist 4.39121 4.95504 3.93741 8.36931 8.9512 7.16741 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.52742 9.27814 15.6495 7.18472 14.4234 7.67463 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 9.93577 8.17454 10.526 15.2751 19.7791 9.33968 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 7.38568 6.02596 4.66066 9.78119 13.0801 9.33968 numMergedOcc 0
7 mol 90 unq 2 iso 0 dist 8.6767 8.17454 4.66066 15.2751 13.0801 9.33968 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 9.00874 8.92653 3.27874 11.2682 9.98126 6.9447 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 6.4081 9.98215 5.47525 3.8075 7.27074 9.36638 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 5.68841 5.53271 5.56913 6.02783 10.8985 7.24101 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 5.68841 6.33923 7.42165 9.12385 12.9393 6.34004 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.56629 8.55413 11.987 13.5312 18.3234 7.39112 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 7.56091 8.55413 6.88393 13.5312 12.9079 7.39112 numMergedOcc 0
14 mol 124 unq 0 iso 0 dist 7.24083 8.06631 6.49874 8.83242 5.03702 9.0745 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 8.95504 8.00223 12.7977 5.73429 9.33188 5.58647 numMergedOcc 0
16 mol 176 unq 1 iso 0 dist 8.95504 9.60695 12.1252 5.73429 9.33188 8.5733 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 7.55683 6.3472 8.84201 4.4872 10.8062 6.53017 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 9.74822 7.17276 9.8348 8.40497 14.2855 9.90494 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 9.74822 7.17276 9.8348 8.03948 13.9531 5.90121 numMergedOcc 0
