0 mol 1 unq 0 iso 0 dist 9.62879 9.24057 13.8004 6.28298 8.21384 12.2755 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 8.23852 9.97548 7.5208 6.00772 9.88068 14.7529 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.17472 9.48195 15.1968 6.10716 6.40741 12.9209 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.17472 9.48195 15.1968 5.61463 9.31366 10.006 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.10175 9.63616 7.25076 5.01159 5.7405 5.27979 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.99156 5.7576 9.61302 10.38 9.53327 14.7637 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.93891 7.75075 6.84152 4.90088 8.86612 8.99536 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.62536 7.75075 7.1203 4.90088 6.84747 8.99536 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 8.62536 7.75075 7.1203 7.5659 7.75436 5.94317 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.87856 8.73798 11.2684 4.81103 4.94406 7.54574 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 6.2491 8.73798 4.05759 4.81103 7.2337 7.54574 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 3.59451 5.24616 4.05759 7.22196 7.2337 7.54574 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 5.61764 9.66083 8.5036 4.26006 8.18186 8.65859 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 8.26291 8.12319 4.81304 9.33864 5.05277 8.00013 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 7.86001 9.04366 4.81304 5.6007 5.05277 8.00013 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.98097 7.43045 4.45608 10.537 9.80549 9.62774 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 9.98097 7.74168 12.8725 10.537 9.80549 17.4421 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 9.98097 8.16507 10.9613 10.537 9.80549 16.9852 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 5.13722 9.511 9.62165 4.84884 5.0207 10.9266 numMergedOcc 0
19 mol 184 unq 1 iso 0 dist 5.13722 7.72354 9.27535 4.84884 5.0207 10.6991 numMergedOcc 0
20 mol 185 unq 0 iso 0 dist 6.11382 8.12894 6.49896 13.85 8.56136 13.7712 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 5.19654 6.10013 3.41036 12.9817 9.82224 9.9042 numMergedOcc 0
22 mol 193 unq 1 iso 0 dist 5.19654 6.10013 3.41036 10.7013 8.95886 6.21262 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 4.46314 4.76819 3.79439 10.7624 6.67239 9.89191 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 4.46314 4.76819 3.79439 8.15893 6.23146 9.83281 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.16746 9.76634 9.90818 6.84952 9.02661 8.09181 numMergedOcc 0
