0 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 4.60834 6.6051 9.75368 5.85944 8.17618 13.601 6.67154 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 9.46247 11 10.7182 8.27009 17.692 16.4344 8.64208 17.5154 13.0612 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.34804 9.46247 11 10.7182 8.27009 17.692 11.9474 7.9572 16.1699 10.6864 numMergedOcc 0
3 mol 67 unq 2 iso 0 dist 8.34804 9.46247 11 5.66613 5.80736 12.0054 16.4344 8.64208 17.5154 11.8891 numMergedOcc 0
4 mol 67 unq 3 iso 0 dist 8.34804 9.46247 11 5.66613 5.80736 12.0054 11.9474 7.9572 16.1699 6.3173 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 8.39608 7.35142 5.87956 3.91691 8.92529 10.2053 4.93292 8.21553 7.38797 6.10737 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 8.39608 7.35142 5.87956 3.91691 8.92529 10.2053 9.16746 8.22762 11.7839 6.78097 numMergedOcc 0
7 mol 71 unq 2 iso 0 dist 7.28815 9.50139 5.87956 10.1018 8.92529 10.2053 6.53623 8.21553 7.38797 6.10737 numMergedOcc 0
8 mol 71 unq 3 iso 0 dist 7.28815 9.50139 5.87956 10.1018 8.92529 10.2053 5.67157 8.22762 11.7839 6.78097 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 7.16287 8.7366 10.0823 4.21327 6.94745 11.9102 4.90475 6.495 7.7059 5.28089 numMergedOcc 0
10 mol 132 unq 1 iso 0 dist 7.16287 8.7366 10.0823 4.21327 6.94745 11.9102 6.34266 9.43748 11.5751 4.50065 numMergedOcc 0
11 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 4.60599 8.63249 5.90804 11.2013 9.97357 9.99038 13.6195 numMergedOcc 0
12 mol 236 unq 1 iso 0 dist 8.20542 5.66569 10.2557 4.60599 8.63249 5.90804 4.15973 6.36941 6.27581 7.45579 numMergedOcc 0
13 mol 236 unq 2 iso 0 dist 5.6568 6.11137 6.49831 4.24722 7.74348 5.90804 9.22303 9.96011 14.3101 13.0929 numMergedOcc 0
14 mol 236 unq 3 iso 0 dist 5.6568 7.89744 6.81625 4.24722 7.74348 10.7277 9.22303 9.96011 11.6077 13.0929 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 5.66907 8.10903 9.04358 14.2753 9.67877 17.2071 13.3533 numMergedOcc 0
16 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 5.66907 8.10903 9.04358 7.52881 8.81059 6.42289 5.90131 numMergedOcc 0
17 mol 258 unq 2 iso 0 dist 9.52903 5.73834 9.78068 5.66907 8.10903 9.04358 12.3042 9.12006 10.1675 9.68064 numMergedOcc 0
18 mol 258 unq 3 iso 0 dist 9.52903 5.73834 9.78068 9.6053 7.25618 10.0455 14.2753 9.67877 17.2071 15.0574 numMergedOcc 0
19 mol 258 unq 4 iso 0 dist 9.52903 5.73834 9.78068 9.6053 7.25618 10.0455 7.52881 8.81059 6.42289 4.51422 numMergedOcc 0
20 mol 258 unq 5 iso 0 dist 9.52903 5.73834 9.78068 9.6053 7.25618 10.0455 12.3042 9.12006 10.1675 4.99997 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.28023 9.09967 5.7574 5.02003 9.34051 13.1113 4.4049 9.81087 10.3851 7.24261 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 5.02003 9.34051 8.88221 4.4049 9.81087 12.8531 7.24261 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.5633 8.15119 4.81916 14.2115 9.84188 12.5685 10.2486 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 12.5633 8.15119 4.81916 10.8075 8.35794 9.7748 7.94155 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 11.3154 7.13655 11.3696 5.37435 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 11.3154 7.13655 11.3696 5.37435 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 11.3154 7.13655 11.3696 5.37435 numMergedOcc 0
