0 mol 25 unq 0 iso 0 dist 8.50539 10.0986 8.40051 4.68147 5.77745 5.63212 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50539 5.55893 8.6396 4.68147 5.77745 6.47509 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.83402 14.4516 8.88413 5.03904 8.27137 11.4148 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.83402 13.2677 9.87281 5.03904 8.27137 14.1577 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 8.83402 13.7276 7.63928 5.03904 8.27137 14.321 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.20409 9.7651 9.96265 4.53848 7.61923 6.16718 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 5.93729 9.7651 9.70459 4.53848 5.11941 6.16718 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.0101 9.08836 6.4551 4.05111 6.63973 6.77898 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.31509 9.62604 5.9747 12.8104 8.3505 3.9764 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.31509 9.62604 5.9747 5.43272 7.34638 7.03983 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 6.14782 9.62604 4.50572 5.43272 6.0995 7.03983 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 6.14782 9.62604 4.50572 6.71295 9.25525 13.1657 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.08733 4.93421 7.91337 4.85157 5.90003 6.30721 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.08733 9.5414 6.40546 4.85157 5.90003 10.5082 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 4.90449 7.79347 7.91337 5.74561 5.90003 6.30721 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 4.90449 6.77381 6.40546 5.74561 5.90003 10.5082 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 4.76012 8.48942 6.38163 5.75588 6.53559 6.28232 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 4.76012 8.48942 6.38163 4.18263 7.90844 12.3705 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.87066 7.69184 6.31125 10.2997 9.10434 3.98662 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 7.56833 7.91807 6.31125 7.08715 9.10434 3.98662 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 8.22824 8.04019 9.60369 4.78701 8.78303 4.46337 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 8.22824 11.4517 9.55556 4.78701 8.78303 7.41373 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 7.7195 11.071 6.07091 4.91613 6.51523 7.5383 numMergedOcc 0
23 mol 171 unq 1 iso 0 dist 8.30819 10.3893 6.07091 4.61696 6.51523 7.5383 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 5.39622 5.01462 8.96988 8.84505 9.18289 13.0315 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 5.39622 5.01462 8.96988 8.53889 6.52441 10.6555 numMergedOcc 0
26 mol 186 unq 2 iso 0 dist 5.39622 5.01462 8.96988 5.565 6.26168 5.75483 numMergedOcc 0
27 mol 212 unq 0 iso 0 dist 7.67675 5.19318 5.87223 4.71123 5.03184 3.9436 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 6.17749 12.5625 7.85877 10.935 8.86886 8.34852 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.84909 11.5692 9.64124 4.77692 5.72473 6.80049 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 6.84909 11.634 9.30668 4.77692 5.72473 7.8414 numMergedOcc 0
