0 mol 43 unq 0 iso 0 dist 8.38387 11.8286 6.20293 4.15592 9.02471 14.0654 13.3732 5.06502 5.73819 13.9823 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 4.15592 9.02471 14.0654 12.9363 6.45462 8.93915 13.2795 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 4.88613 5.40367 6.35756 6.09663 7.17488 4.59417 9.01612 5.35073 6.86465 9.23438 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 6.09663 7.17488 4.59417 6.36193 4.81926 6.62496 9.9105 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 12.1387 8.04242 8.18948 10.7244 5.42586 7.97049 11.5901 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 12.1387 8.04242 14.113 10.7244 5.42586 7.47541 11.5901 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 12.1387 8.04242 14.113 11.7434 10.1164 5.73196 17.4114 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 3.48087 9.07128 10.8406 11.4004 5.57085 8.31336 10.3871 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 9.72689 13.7794 9.36773 10.0091 6.65615 4.47193 11.4004 5.57085 8.31336 5.07548 numMergedOcc 0
9 mol 88 unq 2 iso 0 dist 7.74197 4.0486 9.36773 12.4888 9.07128 10.8406 7.86537 5.57085 8.31336 10.3871 numMergedOcc 0
10 mol 88 unq 3 iso 0 dist 7.74197 4.0486 9.36773 6.15983 6.65615 4.47193 7.86537 5.57085 8.31336 5.07548 numMergedOcc 0
11 mol 88 unq 4 iso 0 dist 7.86537 4.0486 8.31336 6.15983 5.07548 4.47193 7.74197 5.57085 9.36773 6.65615 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 3.54691 7.97548 12.5321 12.3446 4.61027 8.53613 9.9291 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 9.28278 14.5776 8.54584 5.56761 9.64164 11.3755 12.3446 4.61027 8.53613 12.7196 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 3.97269 8.80895 11.6692 15.7871 10.7062 8.40312 17.775 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 7.81337 11.4498 6.85062 3.97269 8.80895 11.6692 10.4432 6.63273 7.12972 12.9064 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 12.8334 9.00072 4.73288 13.1529 5.42328 5.87555 7.59457 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 12.8334 9.00072 4.73288 12.6103 6.4896 8.67331 7.55419 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 8.07256 8.36099 7.16148 12.8334 9.00072 4.70284 13.1529 5.42328 8.87437 7.59457 numMergedOcc 0
19 mol 152 unq 3 iso 0 dist 8.07256 8.36099 7.16148 12.8334 9.00072 4.70284 12.6103 6.4896 8.05741 7.55419 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.36079 13.6173 7.7366 12.9317 4.51255 7.83734 14.4684 5.63422 9.774 6.23183 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 7.42904 9.96254 7.7366 10.8126 4.51255 7.83734 12.7047 5.63422 9.774 6.23183 numMergedOcc 0
22 mol 253 unq 0 iso 0 dist 8.91612 5.11865 6.73034 9.82989 8.94786 8.57513 12.868 8.02948 8.31064 13.723 numMergedOcc 0
23 mol 253 unq 1 iso 0 dist 8.91612 5.11865 6.73034 10.2284 9.1927 6.0222 12.868 8.02948 8.31064 9.19385 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 8.91612 5.11865 6.73034 9.31054 9.60694 6.93212 12.868 8.02948 8.31064 7.14243 numMergedOcc 0
25 mol 253 unq 3 iso 0 dist 8.91612 5.11865 6.73034 13.0515 9.27311 10.2118 12.868 8.02948 8.31064 5.77511 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.73983 4.49913 8.45658 10.4014 8.24356 11.4108 8.65236 7.00201 9.14619 12.3855 numMergedOcc 0
