0 mol 17 unq 0 iso 0 dist 6.80314 8.32923 9.877 7.83348 5.16502 8.91991 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.80314 8.32923 9.877 4.2802 8.26398 9.59996 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 12.6093 9.11311 7.97596 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.60663 4.09894 8.58829 11.8742 8.56365 12.2529 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.60663 4.09894 8.58829 5.44298 7.47783 5.98272 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.60663 4.09894 8.58829 9.10301 8.74151 7.83821 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 5.60663 4.09894 8.58829 7.24268 8.69662 5.51708 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.22889 6.26867 5.9249 4.08459 5.79139 4.39784 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 6.64915 5.79235 5.9249 8.65653 5.79139 4.39784 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.18097 12.8729 6.05495 6.90443 8.04853 10.803 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.18097 12.8729 6.05495 13.1381 6.46549 7.59464 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 8.83135 3.97167 6.05495 14.6513 8.04853 10.803 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 8.83135 3.97167 6.05495 9.99421 6.46549 7.59464 numMergedOcc 0
13 mol 87 unq 0 iso 0 dist 8.59105 5.5768 7.2268 6.90315 9.41934 8.53566 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 8.59105 4.56692 8.31175 6.90315 9.41934 3.63275 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 9.6403 5.54803 9.07734 5.9186 5.51053 3.56771 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 7.61237 10.8984 6.98158 8.12622 7.4442 10.624 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 7.50264 5.43722 6.93279 11.8519 8.31198 8.4466 numMergedOcc 0
18 mol 146 unq 0 iso 0 dist 8.68292 7.14836 6.50043 5.97454 6.73137 6.19717 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 6.86997 6.43817 8.73468 7.34563 9.17462 10.8312 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 6.86997 6.43817 8.73468 3.54257 8.74878 4.43652 numMergedOcc 0
21 mol 148 unq 2 iso 0 dist 7.46919 6.43817 9.73927 7.34563 5.75959 10.8312 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 6.79381 6.48058 8.73558 7.33121 9.01668 10.8596 numMergedOcc 0
23 mol 150 unq 1 iso 0 dist 6.79381 6.48058 8.73558 3.59609 8.74018 4.48089 numMergedOcc 0
24 mol 150 unq 2 iso 0 dist 7.36989 6.48058 9.66129 7.33121 5.4798 10.8596 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 7.23059 10.405 9.6096 6.50596 4.6512 5.30823 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 4.88303 12.848 9.75763 7.551 9.62748 11.5516 numMergedOcc 0
27 mol 184 unq 1 iso 0 dist 4.88303 12.848 9.75763 4.75805 5.12964 9.74321 numMergedOcc 0
28 mol 184 unq 2 iso 0 dist 4.88303 6.36605 7.0685 7.551 9.62748 3.67094 numMergedOcc 0
29 mol 184 unq 3 iso 0 dist 4.88303 6.36605 7.0685 4.75805 5.12964 5.06572 numMergedOcc 0
30 mol 184 unq 4 iso 0 dist 4.88303 8.2618 6.44904 7.551 9.62748 11.1303 numMergedOcc 0
31 mol 184 unq 5 iso 0 dist 4.88303 8.2618 6.44904 4.75805 5.12964 3.88336 numMergedOcc 0
32 mol 188 unq 0 iso 0 dist 6.20426 9.12244 9.33696 8.6599 8.4784 4.61059 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 8.27761 4.87212 7.17337 11.775 9.78273 12.899 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 9.29788 15.6651 9.58354 12.9301 9.82605 14.6606 numMergedOcc 0
35 mol 253 unq 1 iso 0 dist 9.29788 15.6651 9.58354 8.8893 9.73723 15.2949 numMergedOcc 0
36 mol 253 unq 2 iso 0 dist 9.50983 14.0411 9.58354 16.4827 9.82605 14.6606 numMergedOcc 0
37 mol 253 unq 3 iso 0 dist 9.50983 14.0411 9.58354 13.3075 9.73723 15.2949 numMergedOcc 0
38 mol 254 unq 0 iso 0 dist 7.28781 6.69832 8.94909 11.2466 9.50951 5.67608 numMergedOcc 0
39 mol 254 unq 1 iso 0 dist 7.00841 9.65183 8.94909 11.9928 9.50951 5.67608 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 9.65136 5.34142 7.48269 6.51471 4.36333 3.89364 numMergedOcc 0
41 mol 256 unq 1 iso 0 dist 7.54955 8.04009 7.48269 5.24147 4.36333 3.89364 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 6.77259 5.18289 9.71152 12.1427 7.63543 11.7541 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 8.67838 9.01459 5.7131 9.75548 9.373 11.1017 numMergedOcc 0
44 mol 294 unq 0 iso 0 dist 7.14502 6.34998 7.36811 12.8415 9.01437 9.63038 numMergedOcc 0
