0 mol 117 unq 0 iso 0 dist 9.85576 10.4589 7.90328 12.907 4.91401 6.62561 12.4378 8.84018 7.20875 9.94053 numMergedOcc 0
1 mol 117 unq 1 iso 0 dist 9.85576 14.2649 7.83136 12.907 4.91401 7.63616 12.4378 8.84018 3.77029 9.94053 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 12.9568 10.3457 8.43904 8.22696 8.95212 4.39676 6.13374 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 19.0836 10.6679 9.63176 18.3746 12.31 6.9194 6.55202 numMergedOcc 0
4 mol 119 unq 2 iso 0 dist 9.42766 14.0677 8.73993 19.0836 10.6679 9.63176 16.57 7.64052 9.68677 9.08536 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 11.7153 7.01257 7.75534 6.19644 8.96947 5.42561 8.7789 numMergedOcc 0
6 mol 126 unq 1 iso 0 dist 9.06961 9.07346 6.06638 11.7153 7.01257 7.75534 6.36968 11.4624 10.7549 9.93613 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 8.69888 11.5099 9.0018 17.6319 11.0415 9.31887 16.0564 13.6764 5.00913 9.76114 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 5.08206 12.1783 9.0018 14.1664 11.0415 9.31887 16.733 13.6764 5.00913 9.76114 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 7.86625 5.40949 9.31746 9.23118 11.1088 6.73313 9.16709 13.5224 4.88992 5.73635 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 8.49704 10.644 8.85478 6.35728 6.67959 7.46831 4.112 7.46481 11.1534 8.70987 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 9.04427 10.7113 8.19953 3.56689 8.08349 5.13732 5.73591 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 6.08709 7.85135 6.61986 15.1149 10.7113 8.19953 11.4272 8.08349 5.13732 5.73591 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 8.34104 6.43754 8.17891 15.7465 9.91384 4.1511 7.79951 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 13.6158 14.6185 9.62609 9.33641 15.9467 14.6485 9.8009 numMergedOcc 0
15 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 8.34104 6.43754 6.95902 15.7465 9.91384 4.69247 7.79951 numMergedOcc 0
16 mol 227 unq 3 iso 0 dist 9.64299 7.69739 7.09863 14.2244 9.13836 8.17891 9.13669 10.3016 4.1511 7.79951 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 5.89084 4.74041 6.56247 10.6283 11.216 6.25105 6.85852 11.1872 5.53885 7.36208 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 5.89084 6.16697 9.45496 14.0153 15.9563 9.5707 6.85852 11.1872 3.95629 8.27411 numMergedOcc 0
19 mol 234 unq 2 iso 0 dist 5.89084 6.16697 9.45496 14.0153 15.9563 9.5707 20.1379 20.7134 15.9732 6.96257 numMergedOcc 0
20 mol 234 unq 3 iso 0 dist 5.89084 6.16697 9.45496 10.6283 11.216 7.85175 6.85852 11.1872 3.95629 7.36208 numMergedOcc 0
21 mol 234 unq 4 iso 0 dist 8.47009 4.74041 9.36357 10.6283 11.4315 6.25105 6.85852 10.5689 5.53885 7.36208 numMergedOcc 0
22 mol 234 unq 5 iso 0 dist 8.47009 6.16697 6.7625 14.0153 14.4106 9.5707 6.85852 10.5689 3.95629 8.27411 numMergedOcc 0
23 mol 234 unq 6 iso 0 dist 8.47009 6.16697 6.7625 14.0153 14.4106 9.5707 20.1379 19.3876 15.9732 6.96257 numMergedOcc 0
24 mol 234 unq 7 iso 0 dist 8.47009 6.16697 6.7625 10.6283 11.4315 7.85175 6.85852 10.5689 3.95629 7.36208 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.75174 13.477 6.57393 12.9258 6.20606 5.38637 16.8229 14.7404 13.378 9.38131 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 9.27954 5.79468 7.48005 14.5256 11.7465 10.282 8.84648 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 7.93997 14.8465 7.46176 9.27954 5.79468 7.48005 7.06301 5.85442 10.067 6.23661 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.696 5.1874 8.49997 5.12523 6.8406 7.97444 4.43818 12.9576 5.58776 9.23897 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 10.0733 6.3384 6.85028 10.3259 10.2229 4.57104 7.52924 numMergedOcc 0
30 mol 282 unq 1 iso 0 dist 5.67266 5.04235 6.33524 10.0733 6.3384 7.32347 10.3259 10.2229 5.29852 7.52924 numMergedOcc 0
31 mol 282 unq 2 iso 0 dist 5.80981 9.60898 8.04483 11.4393 6.3384 6.85028 12.7342 10.2229 4.57104 7.52924 numMergedOcc 0
32 mol 282 unq 3 iso 0 dist 5.80981 8.37652 6.33524 11.4393 6.3384 7.32347 12.7342 10.2229 5.29852 7.52924 numMergedOcc 0
33 mol 282 unq 4 iso 0 dist 9.63346 4.85461 8.04483 5.2527 6.3384 6.85028 6.51505 10.2229 4.57104 7.52924 numMergedOcc 0
34 mol 282 unq 5 iso 0 dist 9.63346 8.85797 6.33524 5.2527 6.3384 7.32347 6.51505 10.2229 5.29852 7.52924 numMergedOcc 0
