0 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 5.85944 8.17618 13.601 4.60834 6.6051 9.75368 6.67154 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 13.4703 9.7754 20.0174 9.89879 13.8493 7.89424 17.0327 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 7.83419 9.22376 7.66905 11.4201 12.4413 9.67557 15.3279 numMergedOcc 0
3 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 11.2013 9.97357 9.99038 4.60599 8.63249 5.90804 13.6195 numMergedOcc 0
4 mol 236 unq 1 iso 0 dist 8.20542 5.66569 10.2557 4.15973 6.36941 6.27581 4.60599 8.63249 5.90804 7.45579 numMergedOcc 0
5 mol 236 unq 2 iso 0 dist 5.6568 6.11137 6.49831 9.22303 9.96011 14.3101 4.24722 7.74348 5.90804 13.0929 numMergedOcc 0
6 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 14.2753 9.67877 17.2071 5.66907 8.10903 9.04358 13.3533 numMergedOcc 0
7 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 7.52881 8.81059 6.42289 5.66907 8.10903 9.04358 5.90131 numMergedOcc 0
8 mol 258 unq 2 iso 0 dist 9.52903 5.73834 9.78068 12.3042 9.12006 10.1675 5.66907 8.10903 9.04358 9.68064 numMergedOcc 0
9 mol 271 unq 0 iso 0 dist 9.80493 9.56149 9.63302 10.4126 8.32351 15.085 5.60228 13.9636 9.42899 15.8798 numMergedOcc 0
10 mol 274 unq 0 iso 0 dist 6.28023 8.49076 7.23876 4.4049 9.81087 12.8531 5.02003 9.34051 8.88221 7.24261 numMergedOcc 0
11 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 4.4049 9.81087 12.8531 12.6116 15.5776 9.65027 15.3502 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 14.2115 9.84188 12.5685 12.5633 8.15119 4.81916 10.2486 numMergedOcc 0
13 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 10.8075 8.35794 9.7748 12.5633 8.15119 4.81916 7.94155 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 11.3154 7.13655 11.3696 6.53276 6.45597 9.32175 5.37435 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 11.3154 7.13655 11.3696 6.53276 6.45597 9.32175 5.37435 numMergedOcc 0
16 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 11.3154 7.13655 11.3696 6.53276 6.45597 9.32175 5.37435 numMergedOcc 0
17 mol 293 unq 0 iso 0 dist 6.97887 6.27435 11.4201 8.40114 8.78835 12.7742 6.74585 10.6176 5.44043 8.91008 numMergedOcc 0
18 mol 293 unq 1 iso 0 dist 6.97887 6.27435 11.4201 8.40114 8.78835 12.7742 4.13058 9.55759 9.25564 8.29713 numMergedOcc 0
