0 mol 1 unq 0 iso 0 dist 9.19543 7.68779 6.13271 6.41817 9.69226 11.8728 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 8.8993 9.41745 6.7002 7.4036 10.5333 10.9547 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 9.54644 7.34019 6.26111 7.11464 10.4791 6.11846 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 9.54644 8.43828 14.9059 7.11464 10.4791 7.3917 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 7.31362 7.16036 5.68567 9.52676 9.67352 4.55437 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 6.47185 9.31319 4.71369 6.19084 10.0738 10.5906 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 6.47185 8.2513 5.80658 6.19084 10.0738 12.8683 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 6.22911 8.61163 4.43656 5.80996 6.40941 5.10859 numMergedOcc 0
8 mol 53 unq 1 iso 0 dist 9.90794 8.61163 10.8186 5.80996 6.40069 5.10859 numMergedOcc 0
9 mol 53 unq 2 iso 0 dist 6.87621 8.61163 6.29666 5.80996 4.73128 5.10859 numMergedOcc 0
10 mol 53 unq 3 iso 0 dist 6.76484 7.80805 4.43656 5.66861 6.40941 5.10859 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 5.0478 7.21561 4.29856 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 8.22841 8.60577 6.59479 5.39827 5.3464 9.23414 numMergedOcc 0
13 mol 61 unq 1 iso 0 dist 5.74014 8.60577 4.91166 5.39827 6.19026 9.23414 numMergedOcc 0
14 mol 91 unq 0 iso 0 dist 8.56547 7.47827 7.45926 7.74952 9.18905 4.57085 numMergedOcc 0
15 mol 91 unq 1 iso 0 dist 5.23177 7.47827 5.55005 7.74952 8.00102 4.57085 numMergedOcc 0
16 mol 91 unq 2 iso 0 dist 6.77052 7.47827 9.57561 7.74952 11.1564 4.57085 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 7.3098 5.09688 5.06206 8.22984 6.8344 9.75737 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 9.90038 9.91446 11.7157 6.6157 6.8344 7.16919 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 9.90038 9.26343 5.06206 6.6157 6.8344 9.75737 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 9.66944 5.94478 9.57454 9.61913 4.01954 9.91049 numMergedOcc 0
21 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 8.6317 11.2575 9.20086 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 9.14007 9.90045 7.42649 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 7.65424 9.75558 10.28 9.14007 9.90045 9.43674 numMergedOcc 0
24 mol 141 unq 2 iso 0 dist 6.71654 4.93035 4.37081 9.14007 11.5448 7.42649 numMergedOcc 0
25 mol 141 unq 3 iso 0 dist 6.71654 9.75558 6.23566 9.14007 11.5448 9.43674 numMergedOcc 0
26 mol 153 unq 0 iso 0 dist 6.19646 9.79001 10.2323 6.36853 5.39952 7.94182 numMergedOcc 0
27 mol 153 unq 1 iso 0 dist 6.19646 9.79001 10.2323 5.87327 4.35422 6.65991 numMergedOcc 0
28 mol 182 unq 0 iso 0 dist 6.06892 7.8621 11.8631 8.04856 5.91922 9.81003 numMergedOcc 0
29 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 7.27051 13.0014 12.717 numMergedOcc 0
30 mol 192 unq 1 iso 0 dist 9.44978 9.05666 4.94984 7.35424 14.1703 14.8459 numMergedOcc 0
31 mol 196 unq 0 iso 0 dist 9.66622 6.64506 9.06228 5.21339 9.00319 9.09988 numMergedOcc 0
32 mol 196 unq 1 iso 0 dist 7.21836 6.60651 12.7415 6.67699 7.68725 8.50224 numMergedOcc 0
33 mol 213 unq 0 iso 0 dist 5.08722 9.40939 6.62289 8.53661 10.3831 8.47474 numMergedOcc 0
34 mol 213 unq 1 iso 0 dist 5.08722 9.06306 5.69131 8.53661 10.3831 15.1193 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 8.40312 7.26647 12.6092 5.83338 6.73868 7.86966 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 8.40312 7.7309 13.0522 5.83338 6.73868 6.65675 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 8.07221 7.70229 12.878 5.94224 6.55115 8.2662 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 8.07221 7.90792 12.8251 5.94224 6.55115 6.6348 numMergedOcc 0
39 mol 287 unq 0 iso 0 dist 6.81636 9.22576 9.91979 9.52718 13.0927 4.9628 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 6.81636 9.22576 9.91979 9.52718 13.0927 4.9628 numMergedOcc 0
41 mol 289 unq 0 iso 0 dist 6.81636 9.22576 9.91979 9.52718 13.0927 4.9628 numMergedOcc 0
