0 mol 19 unq 0 iso 0 dist 8.75001 7.84393 12.48 7.78708 5.18509 8.01051 9.01721 17.1733 7.82074 14.2684 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.22152 5.87895 6.7228 9.57974 6.62926 4.87334 5.75653 13.3202 7.36323 11.5038 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 7.02352 6.15294 9.21892 9.73304 16.8033 9.67592 13.3406 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 8.92529 8.21553 6.10737 8.22762 6.78097 7.16971 5.87956 10.2053 7.38797 11.7839 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.41083 6.20658 4.45342 7.83568 11.8582 10.2788 7.09627 9.28214 4.99221 11.5333 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.41083 7.83568 11.8582 6.20658 4.45342 10.2788 7.10772 14.3348 5.11551 11.2489 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 9.41083 7.83568 11.8582 6.20658 4.45342 10.2788 11.3906 18.1828 7.11972 16.1842 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 5.83719 6.65963 4.98711 8.62711 11.2447 7.30196 10.345 11.2815 8.14887 9.30299 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 5.83719 8.62711 11.2447 6.65963 4.98711 7.30196 10.345 11.2815 9.30299 8.14887 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 9.43748 4.50065 4.35917 10.0823 11.9102 7.7059 11.5751 numMergedOcc 0
10 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 7.34316 8.64175 12.3422 11.4946 18.1661 8.77153 13.3071 numMergedOcc 0
11 mol 223 unq 1 iso 0 dist 6.97426 9.94212 15.9255 7.34316 8.64175 12.3422 13.1422 19.8848 8.6166 18.1103 numMergedOcc 0
12 mol 223 unq 2 iso 0 dist 8.87456 9.94212 17.7343 7.34316 12.9895 12.3422 11.4946 20.1459 8.77153 13.3071 numMergedOcc 0
13 mol 223 unq 3 iso 0 dist 8.87456 9.94212 17.7343 7.34316 12.9895 12.3422 13.1422 20.15 8.6166 18.1103 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 6.36941 7.45579 7.28249 8.3919 11.8908 8.03456 9.81562 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 8.63249 9.97357 13.6195 6.36941 7.45579 7.28249 4.88785 12.0498 6.84306 7.68742 numMergedOcc 0
16 mol 236 unq 2 iso 0 dist 8.63249 9.97357 13.6195 6.36941 7.45579 7.28249 10.2557 5.90804 9.99038 6.27581 numMergedOcc 0
17 mol 236 unq 3 iso 0 dist 8.63249 9.97357 13.6195 6.36941 7.45579 7.28249 14.6755 15.4854 9.78037 13.499 numMergedOcc 0
18 mol 236 unq 4 iso 0 dist 8.63249 9.97357 13.6195 6.36941 7.45579 7.28249 16.5918 16.1665 8.35971 11.2141 numMergedOcc 0
19 mol 236 unq 5 iso 0 dist 8.63249 6.36941 7.45579 9.97357 13.6195 7.28249 8.3919 11.8908 9.81562 8.03456 numMergedOcc 0
20 mol 236 unq 6 iso 0 dist 8.63249 6.36941 7.45579 9.97357 13.6195 7.28249 4.88785 12.0498 7.68742 6.84306 numMergedOcc 0
21 mol 236 unq 7 iso 0 dist 8.63249 6.36941 7.45579 9.97357 13.6195 7.28249 10.2557 5.90804 6.27581 9.99038 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 9.67877 13.3533 17.2075 9.78068 9.04358 6.42289 17.2071 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 9.12006 9.68064 5.30627 9.78068 9.04358 6.42289 10.1675 numMergedOcc 0
24 mol 258 unq 2 iso 0 dist 8.70193 7.9357 4.51422 5.79537 4.99997 5.30627 8.73372 10.0455 6.42289 10.1675 numMergedOcc 0
25 mol 258 unq 3 iso 0 dist 7.25618 8.81059 4.51422 9.67877 15.0574 17.2075 9.78068 10.0455 6.42289 17.2071 numMergedOcc 0
26 mol 258 unq 4 iso 0 dist 7.25618 8.81059 4.51422 9.12006 4.99997 5.30627 9.78068 10.0455 6.42289 10.1675 numMergedOcc 0
27 mol 261 unq 0 iso 0 dist 8.88741 7.15785 6.43209 9.43169 7.78464 5.51688 6.5875 7.30472 8.02547 6.05727 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 8.88741 9.43169 7.78464 7.15785 6.43209 5.51688 6.5875 7.30472 6.05727 8.02547 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 8.15119 8.35794 7.94155 9.84188 10.2486 5.59609 5.77904 4.81916 9.7748 12.5685 numMergedOcc 0
