0 mol 7 unq 0 iso 0 dist 9.20552 13.6107 8.8576 8.16305 7.78327 6.68629 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 5.36895 9.95794 7.07587 6.85618 9.17982 10.1866 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 5.36895 9.95794 7.07587 8.25624 9.62869 14.808 numMergedOcc 0
3 mol 41 unq 2 iso 0 dist 5.36895 9.95794 7.07587 5.36021 6.40219 6.16399 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.06275 14.8755 8.47617 7.62357 9.02471 14.2755 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.90024 5.00932 8.47617 16.9091 9.02471 14.2755 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.83528 10.7274 4.31067 11.4714 7.92856 11.3701 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 7.54969 5.76482 4.31067 12.9689 7.92856 11.3701 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.77678 6.99654 8.1306 10.0513 9.10911 9.44658 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 6.34542 10.1386 7.42431 11.2375 9.06601 3.83194 numMergedOcc 0
10 mol 111 unq 1 iso 0 dist 6.34542 10.1386 7.42431 6.87591 5.98809 5.56913 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 7.2443 8.94648 9.57352 4.8668 8.99912 7.68828 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 5.06555 7.08572 8.20009 8.14689 6.42623 8.24077 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 5.06555 7.08572 8.20009 5.74365 8.95899 3.79384 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 5.06555 9.04066 8.14799 8.14689 6.42623 5.56137 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 5.06555 9.04066 8.14799 5.74365 8.95899 6.80121 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 8.47907 8.96396 8.054 12.1473 4.42563 10.2953 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.34839 14.9554 9.0847 14.1262 9.00072 5.0146 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 8.04723 11.2444 7.14849 12.3914 4.72821 8.84201 numMergedOcc 0
19 mol 178 unq 1 iso 0 dist 8.04723 12.3996 8.63718 12.3914 4.72821 7.09333 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.0639 5.18812 9.71735 4.59453 9.65093 6.89357 numMergedOcc 0
21 mol 196 unq 0 iso 0 dist 9.23836 11.5727 7.84536 6.17727 4.67869 5.97525 numMergedOcc 0
22 mol 196 unq 1 iso 0 dist 9.23836 8.10415 7.07723 6.17727 4.67869 4.22321 numMergedOcc 0
23 mol 196 unq 2 iso 0 dist 9.23836 6.1798 6.40064 6.17727 4.67869 3.9465 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 9.73691 9.92307 8.48081 6.56215 9.09354 5.16198 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 9.73691 9.92307 8.48081 9.18934 4.66576 12.1593 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 9.79816 12.3761 9.85348 5.27483 7.84952 9.51802 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 7.8128 7.37236 8.84872 9.83176 8.08965 3.90737 numMergedOcc 0
28 mol 240 unq 0 iso 0 dist 7.6664 10.8459 7.0935 3.99769 5.77749 7.11037 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 7.23956 5.13652 9.64889 9.7252 4.9764 13.4595 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 7.23956 5.13652 9.64889 10.5201 6.36559 13.6295 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 9.27716 5.25454 7.04661 7.60311 5.50053 3.86368 numMergedOcc 0
32 mol 281 unq 1 iso 0 dist 9.27716 5.25454 7.04661 11.1675 7.33334 7.4282 numMergedOcc 0
