0 mol 0 unq 0 iso 0 dist 9.19007 9.67081 16.5238 6.0225 6.94943 14.6538 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.88043 7.78327 10.6558 12.8323 8.15894 17.9276 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.80762 7.78327 13.5227 12.8323 8.45544 17.9276 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.44506 7.98005 12.4814 7.11305 6.38243 8.97754 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.44506 8.31381 15.4838 7.11305 6.38243 13.5629 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 9.93832 7.39848 6.59887 10.8828 7.24352 12.2699 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.27383 6.79356 6.21346 4.00553 6.87028 9.10675 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 7.9814 8.06267 9.21465 5.74372 9.45329 9.63906 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 7.9814 5.88334 6.22999 5.74372 9.45329 7.71872 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 6.61823 8.85601 13.129 5.31547 6.98037 10.9088 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 6.61823 8.85601 13.129 4.3481 6.9223 13.1158 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 6.49956 8.85601 12.8901 4.3481 7.0561 13.1158 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 7.26086 7.92856 8.67903 3.9764 8.75597 11.36 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 6.43433 6.87434 4.25001 10.5563 5.43933 9.24706 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 6.43433 6.87434 4.25001 6.95317 4.99604 5.92828 numMergedOcc 0
15 mol 112 unq 2 iso 0 dist 6.43433 6.87434 4.25001 13.5094 9.97483 14.0864 numMergedOcc 0
16 mol 112 unq 3 iso 0 dist 6.43433 6.87434 4.25001 6.75738 7.44041 10.3476 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 12.6005 6.78801 14.4726 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.69515 7.46621 10.7652 13.2918 6.77921 15.9403 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 7.25673 8.99891 12.6218 4.78563 8.612 12.5751 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 12.068 9.43989 16.7208 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 9.77552 7.55934 6.69469 12.4535 6.92726 12.0843 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 8.35555 6.79114 4.78989 4.94983 7.1069 8.60651 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 8.35555 7.59457 9.43672 4.94983 7.1069 10.6225 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 4.92088 4.72821 8.56547 6.42973 8.25282 9.15383 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 7.24795 5.90765 9.28201 3.90244 8.57801 8.92135 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 10.0756 5.53324 4.45769 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 6.26839 9.52922 7.82899 11.8031 6.72182 12.9621 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 6.60567 6.59544 11.5264 5.41635 6.34234 10.4086 numMergedOcc 0
29 mol 195 unq 1 iso 0 dist 6.60567 6.59544 11.5264 11.9954 7.87972 18.2938 numMergedOcc 0
30 mol 198 unq 0 iso 0 dist 8.10985 6.77156 13.3432 9.76488 8.8864 16.5069 numMergedOcc 0
31 mol 198 unq 1 iso 0 dist 8.10985 6.77156 13.3432 6.0599 8.12201 12.3339 numMergedOcc 0
32 mol 198 unq 2 iso 0 dist 8.10985 6.77156 13.3432 6.05382 5.45162 12.4328 numMergedOcc 0
33 mol 198 unq 3 iso 0 dist 8.10985 7.97894 12.4245 9.76488 8.8864 16.8247 numMergedOcc 0
34 mol 198 unq 4 iso 0 dist 8.10985 7.97894 12.4245 6.0599 8.12201 11.6674 numMergedOcc 0
35 mol 198 unq 5 iso 0 dist 8.10985 7.97894 12.4245 6.05382 5.45162 13.3333 numMergedOcc 0
36 mol 198 unq 6 iso 0 dist 8.10985 8.08471 5.45278 9.76488 8.8864 13.4892 numMergedOcc 0
37 mol 198 unq 7 iso 0 dist 8.10985 8.08471 5.45278 6.0599 8.12201 10.6821 numMergedOcc 0
38 mol 198 unq 8 iso 0 dist 8.10985 8.08471 5.45278 6.05382 5.45162 9.18405 numMergedOcc 0
39 mol 218 unq 0 iso 0 dist 6.29511 7.84952 5.46009 6.0516 8.04838 12.3613 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 7.71657 8.97531 5.48178 4.74189 8.20485 9.83672 numMergedOcc 0
41 mol 278 unq 0 iso 0 dist 7.67245 5.35705 5.78276 13.5923 8.63072 11.7969 numMergedOcc 0
42 mol 278 unq 1 iso 0 dist 7.67245 5.35705 5.78276 10.0918 7.59696 7.56691 numMergedOcc 0
43 mol 278 unq 2 iso 0 dist 9.12395 6.64378 5.78276 10.9571 8.63072 11.7969 numMergedOcc 0
44 mol 278 unq 3 iso 0 dist 9.12395 6.64378 5.78276 6.48173 7.59696 7.56691 numMergedOcc 0
