0 mol 4 unq 0 iso 0 dist 8.23852 5.39008 4.46089 6.10734 6.996 5.12621 10.8791 13.4201 10.1887 7.35416 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.12013 9.46895 8.79217 6.19304 8.43877 12.7517 6.44044 10.9537 8.07997 8.5315 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 8.87856 7.88143 6.62867 6.04768 11.3708 12.9271 4.81103 4.94406 7.67564 7.14031 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 8.87856 6.62952 11.2334 6.04768 11.3708 12.2431 4.81103 4.94406 8.60103 7.14031 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 6.2491 7.88143 12.7928 6.04768 7.43547 12.9271 4.81103 7.2337 7.67564 7.14031 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 6.2491 6.62952 7.89992 6.04768 7.43547 12.2431 4.81103 7.2337 8.60103 7.14031 numMergedOcc 0
6 mol 98 unq 4 iso 0 dist 3.59451 4.3521 7.89992 9.40173 7.43547 12.2431 7.22196 7.2337 8.60103 7.14031 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 8.15971 8.44933 5.16445 8.2793 10.5488 6.58625 6.27138 12.9461 10.7546 6.11502 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 8.15971 8.44933 5.16445 8.2793 10.5488 6.58625 5.61158 11.2037 8.74577 6.33431 numMergedOcc 0
9 mol 125 unq 2 iso 0 dist 8.15971 7.43803 5.32986 8.2793 10.5488 6.67445 6.27138 12.9461 9.94322 6.11502 numMergedOcc 0
10 mol 125 unq 3 iso 0 dist 8.15971 7.43803 5.32986 8.2793 10.5488 6.67445 5.61158 11.2037 9.7728 6.33431 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.47989 5.50879 4.68339 8.32841 5.46268 5.6621 5.309 9.15984 8.75305 8.21184 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 6.47989 5.50879 4.68339 8.32841 5.46268 5.6621 6.07262 8.32227 5.13522 5.9976 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 6.47989 5.50879 4.68339 6.00295 4.78734 6.65278 5.309 9.15984 8.75305 5.41575 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 6.47989 5.50879 4.68339 6.00295 4.78734 6.65278 6.07262 8.32227 5.13522 6.86566 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 5.13722 8.49577 8.78766 6.65725 8.44389 8.87236 4.84884 5.0207 12.0267 7.54099 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 5.19654 8.71993 3.53549 6.28889 7.03947 9.08423 9.7127 13.4513 16.3354 9.40801 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.05082 8.24741 12.3913 6.82883 7.93097 4.66376 4.97624 10.7136 6.45143 5.70795 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 8.11884 9.92947 10.2154 9.31961 6.82173 9.96775 11.1373 10.8564 15.5757 6.37963 numMergedOcc 0
19 mol 256 unq 1 iso 0 dist 8.11884 9.92947 10.2154 9.31961 6.82173 9.96775 12.3321 7.40057 15.1085 6.00636 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 9.36052 7.84151 10.402 8.16005 5.527 11.4694 5.63899 10.8281 9.16554 7.16346 numMergedOcc 0
21 mol 273 unq 1 iso 0 dist 9.36052 7.85797 5.78379 8.16005 5.527 4.73332 5.63899 10.8281 9.65597 7.16346 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 8.83777 6.40125 6.08499 7.88238 12.5151 11.8 13.008 16.9867 14.3257 8.20644 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 9.42812 6.40125 10.3278 7.88238 5.10104 11.8 13.008 5.92532 14.3257 8.20644 numMergedOcc 0
