0 mol 28 unq 0 iso 0 dist 8.70005 9.05939 6.20881 10.5266 10.79 8.24422 14.6979 10.3983 5.81701 9.86409 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.70005 9.38747 11.4016 10.5266 10.79 8.99724 14.6979 10.3983 8.89091 9.86409 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.17591 7.13608 6.97536 13.7123 16.3601 9.46895 16.2251 19.2084 12.7517 6.19304 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 4.87423 7.12853 5.01302 3.843 4.76283 6.14513 8.72533 10.1334 6.64442 9.14345 numMergedOcc 0
4 mol 71 unq 1 iso 0 dist 4.76283 6.14513 5.01302 3.843 4.87423 7.12853 9.14345 10.1334 6.64442 8.72533 numMergedOcc 0
5 mol 71 unq 2 iso 0 dist 7.75237 7.12853 9.08204 3.843 10.8022 6.14513 8.72533 8.8528 6.64442 9.14345 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.87856 6.62952 11.2334 5.4823 11.3126 4.3521 6.04768 11.3708 12.2431 9.40173 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 6.2491 6.62952 7.89992 5.4823 3.59451 4.3521 6.04768 7.43547 12.2431 9.40173 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 3.59451 4.3521 7.89992 5.4823 6.2491 6.62952 9.40173 7.43547 12.2431 6.04768 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.89564 9.82274 5.32245 10.1263 11.7472 9.02712 16.048 17.7502 15.0618 9.93309 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 6.47989 5.50879 4.68339 11.1396 9.91857 6.69157 12.7365 8.80632 7.27063 6.10069 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 6.47989 5.50879 4.68339 11.1396 9.91857 6.69157 8.32841 5.46268 5.6621 6.56065 numMergedOcc 0
12 mol 193 unq 0 iso 0 dist 9.16852 7.71716 3.53549 13.1729 5.19654 8.71993 16.1177 7.03947 9.08423 6.28889 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 9.05082 8.24741 12.3913 8.0668 15.1102 5.07958 6.82883 7.93097 4.66376 8.22518 numMergedOcc 0
14 mol 226 unq 1 iso 0 dist 9.05082 8.24741 12.3913 12.401 12.6814 6.19519 6.82883 7.93097 4.66376 6.02803 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 8.64393 6.99444 7.70154 10.4134 16.2083 9.38192 10.4512 9.82736 5.52134 9.88841 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 8.87355 8.52827 10.2078 7.00034 8.18179 7.14122 11.9352 14.2071 6.2981 7.61501 numMergedOcc 0
