0 mol 25 unq 0 iso 0 dist 6.23095 9.39274 4.77954 10.747 7.31767 11.0249 7.40735 7.685 12.201 8.43188 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.23095 9.39274 4.77954 11.5983 6.03987 7.99919 7.40735 7.685 12.201 10.3635 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 9.26417 4.03844 8.1124 8.8178 12.4827 13.1473 6.77912 6.53824 12.0644 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 6.68311 9.26417 4.03844 15.0607 9.96708 12.111 13.1473 6.77912 6.53824 7.11552 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 6.7212 8.16985 7.47371 11.6369 9.96708 7.12321 5.00053 7.321 9.14817 9.0131 numMergedOcc 0
5 mol 72 unq 3 iso 0 dist 6.7212 8.16985 7.47371 6.12361 9.78528 6.21799 5.00053 7.321 9.14817 6.11922 numMergedOcc 0
6 mol 72 unq 4 iso 0 dist 6.7212 7.81344 9.67587 11.6369 9.96708 9.35457 5.00053 7.321 9.76686 9.0131 numMergedOcc 0
7 mol 72 unq 5 iso 0 dist 6.7212 7.81344 9.67587 6.12361 9.78528 5.03251 5.00053 7.321 9.76686 6.11922 numMergedOcc 0
8 mol 72 unq 6 iso 0 dist 6.7212 5.49421 7.07356 11.6369 9.96708 12.1131 5.00053 7.321 9.437 9.0131 numMergedOcc 0
9 mol 72 unq 7 iso 0 dist 6.7212 5.49421 7.07356 6.12361 9.78528 7.66093 5.00053 7.321 9.437 6.11922 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 11.8754 7.75343 12.1809 15.209 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.85449 6.65086 9.94341 11.8754 7.75343 12.1809 10.9608 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 7.68675 6.56369 9.82522 11.8754 7.75343 12.1809 5.69137 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 5.70279 5.30117 5.47563 9.53223 9.30209 13.4844 11.8754 7.75343 12.1809 9.21622 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 8.84523 7.22752 6.35679 14.7654 8.69985 14.6042 5.38332 5.87358 8.38791 9.46098 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.88255 6.88175 6.9194 10.5726 8.73993 12.31 10.06 9.63176 6.55202 10.6679 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.88255 9.98931 13.3292 10.5726 8.73993 18.4632 10.06 9.63176 18.463 10.6679 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 8.88255 8.47642 10.1294 10.5726 8.73993 14.221 10.06 9.63176 16.8984 10.6679 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 5.68636 8.14405 4.91785 7.92939 6.43582 8.97626 7.441 9.38946 7.29911 12.8482 numMergedOcc 0
19 mol 155 unq 1 iso 0 dist 5.68636 8.14405 4.91785 7.92939 6.43582 8.97626 6.79302 7.36102 5.36254 8.27726 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 10.6375 8.01589 14.4477 11.3364 6.82208 11.8745 4.8892 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 5.47561 8.51427 6.84862 5.39098 7.7699 10.0233 11.3364 6.82208 11.8745 11.0074 numMergedOcc 0
22 mol 222 unq 2 iso 0 dist 5.47561 8.51427 6.84862 5.60111 7.21333 5.56538 11.3364 6.82208 11.8745 12.2813 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 9.73411 5.31916 7.05804 14.1073 8.95269 13.2325 9.9234 6.87664 10.8888 7.98696 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 9.73411 5.31916 7.05804 9.81806 6.57273 8.79428 9.9234 6.87664 10.8888 7.12232 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 9.73411 5.31916 7.05804 5.99647 5.78342 6.8692 9.9234 6.87664 10.8888 5.3621 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 4.87108 5.41453 6.82305 7.45873 6.22714 10.1172 5.61491 7.49471 7.24334 5.17471 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 7.64276 5.41453 5.71717 7.45873 7.31233 10.1172 13.9044 6.55759 12.0545 10.4664 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 7.64276 5.41453 5.71717 7.45873 7.31233 10.1172 13.3748 7.02475 10.3438 11.2717 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 7.64276 5.41453 5.71717 7.45873 7.31233 10.1172 11.6924 7.67322 7.39547 12.6986 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 7.64276 5.41453 5.71717 7.45873 7.31233 10.1172 5.61491 7.19008 7.24334 5.17471 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.57619 9.2885 4.04513 5.43184 5.30224 8.03219 5.4536 8.37865 8.84648 5.31048 numMergedOcc 0
