0 mol 7 unq 0 iso 0 dist 8.8576 13.0722 7.88043 6.68629 7.78327 10.6558 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 16.4052 8.80762 6.68629 7.78327 13.5227 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.34549 14.0065 8.44506 8.82979 7.98005 12.4814 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 7.34549 14.0065 8.44506 3.63999 8.31381 15.4838 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.09068 8.26538 8.44506 12.3884 7.98005 12.4814 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 8.09068 8.26538 8.44506 11.7163 8.31381 15.4838 numMergedOcc 0
6 mol 26 unq 4 iso 0 dist 9.72289 10.9934 8.44506 15.7944 7.98005 12.4814 numMergedOcc 0
7 mol 26 unq 5 iso 0 dist 9.72289 10.9934 8.44506 13.5789 8.31381 15.4838 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 9.70612 11.0716 7.57959 4.46801 7.68478 8.44315 numMergedOcc 0
9 mol 38 unq 1 iso 0 dist 9.70612 5.59494 7.05737 4.46801 7.68478 4.841 numMergedOcc 0
10 mol 38 unq 2 iso 0 dist 6.46781 5.59494 7.54179 4.46801 6.87122 4.841 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 4.31067 10.2492 7.26086 11.3701 7.92856 8.67903 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 7.42431 9.30538 7.71107 3.83194 9.06601 12.2445 numMergedOcc 0
13 mol 111 unq 1 iso 0 dist 7.42431 9.30538 7.71107 5.56913 5.98809 3.75797 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 8.20009 15.3512 8.93905 8.24077 6.42623 9.23272 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 8.20009 15.3512 8.93905 3.79384 8.95899 14.3708 numMergedOcc 0
16 mol 120 unq 2 iso 0 dist 8.14799 14.3305 8.93905 5.56137 6.42623 9.23272 numMergedOcc 0
17 mol 120 unq 3 iso 0 dist 8.14799 14.3305 8.93905 6.80121 8.95899 14.3708 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 7.4653 5.88056 5.49226 3.75216 8.39897 7.88487 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.37459 13.8158 8.35555 10.6933 6.79114 4.78989 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 9.37459 13.8158 8.35555 5.0146 7.59457 9.43672 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 9.21386 7.0862 9.94125 7.52035 9.86868 3.67696 numMergedOcc 0
22 mol 167 unq 1 iso 0 dist 9.21386 7.0862 9.94125 5.95451 6.83528 7.69109 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 7.14849 6.72936 4.92088 8.84201 4.72821 8.56547 numMergedOcc 0
24 mol 178 unq 1 iso 0 dist 8.63718 9.74054 4.92088 7.09333 4.72821 8.56547 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.16369 12.1694 7.24795 12.0957 5.90765 9.28201 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 9.98332 17.6122 8.10985 7.79482 6.77156 13.3432 numMergedOcc 0
27 mol 198 unq 1 iso 0 dist 9.98332 17.6122 8.10985 8.97088 7.97894 12.4245 numMergedOcc 0
28 mol 198 unq 2 iso 0 dist 9.98332 17.6122 8.10985 15.9886 8.08471 5.45278 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 6.04106 10.0849 5.60393 3.95968 7.13783 12.0319 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 7.51923 7.21122 8.70977 5.69659 6.23183 11.5047 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 9.85348 4.58065 8.06216 9.51802 7.84952 9.46108 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 9.85348 10.6818 5.76954 9.51802 7.84952 11.2216 numMergedOcc 0
33 mol 218 unq 2 iso 0 dist 9.85348 12.85 6.29511 9.51802 7.84952 5.46009 numMergedOcc 0
34 mol 240 unq 0 iso 0 dist 7.0935 3.38705 9.47583 7.11037 5.77749 10.2659 numMergedOcc 0
35 mol 257 unq 0 iso 0 dist 8.95261 14.4618 9.95546 7.65595 9.6834 8.52912 numMergedOcc 0
36 mol 257 unq 1 iso 0 dist 7.80336 10.369 9.95546 3.41163 9.6834 8.52912 numMergedOcc 0
