0 mol 1 unq 0 iso 0 dist 6.35771 7.55819 5.65716 9.78282 7.73435 11.1504 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.35771 7.55819 5.65716 4.43123 5.71995 7.10269 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 7.56303 9.77526 5.04036 5.97329 9.10587 10.6435 numMergedOcc 0
3 mol 13 unq 1 iso 0 dist 7.56303 8.77656 9.44958 5.97329 9.10587 12.1708 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.69917 13.6284 9.00593 9.89267 9.72965 8.01073 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 6.69917 13.6284 9.00593 10.8377 5.63315 8.57321 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 6.69917 13.6284 9.00593 9.60903 9.8465 11.0203 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 8.64844 13.6749 7.27883 10.0435 8.63361 6.71712 numMergedOcc 0
8 mol 53 unq 0 iso 0 dist 7.61675 10.3698 9.23241 9.46892 4.75776 5.78143 numMergedOcc 0
9 mol 53 unq 1 iso 0 dist 9.64645 12.1711 9.23241 8.95538 4.75776 5.78143 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.26179 9.60689 6.53468 17.8038 8.58543 12.2874 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.26179 12.6588 5.90954 17.8038 8.58543 7.81776 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 6.64347 3.88931 9.99316 10.7366 8.83296 13.6843 numMergedOcc 0
13 mol 90 unq 1 iso 0 dist 6.03963 9.96771 9.99316 7.4595 8.83296 13.6843 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 8.52122 10.9853 9.82548 5.10213 8.77841 15.0098 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 5.82495 6.50047 7.98999 10.6597 9.74569 13.0525 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 9.81782 8.19834 9.91132 6.04544 8.99983 8.14398 numMergedOcc 0
17 mol 163 unq 0 iso 0 dist 7.64106 6.74862 9.3832 14.604 7.3546 16.5085 numMergedOcc 0
18 mol 163 unq 1 iso 0 dist 7.64106 12.1164 6.0247 14.604 7.3546 6.56076 numMergedOcc 0
19 mol 163 unq 2 iso 0 dist 7.64106 11.5172 6.40873 14.604 7.3546 9.55758 numMergedOcc 0
20 mol 286 unq 0 iso 0 dist 9.41529 9.09875 7.3415 5.12535 5.91064 7.28845 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 9.99345 9.47753 9.2542 11.2327 7.41079 12.0758 numMergedOcc 0
