0 mol 18 unq 0 iso 0 dist 5.03976 9.7728 9.14029 5.02571 8.52106 12.7778 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 5.03976 9.7728 9.14029 6.78812 6.32451 12.1928 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.5209 5.78231 4.84198 12.4304 8.68559 8.91596 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 8.9881 9.41538 4.84198 4.5514 8.68559 8.91596 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.94949 4.41045 11.9746 6.08005 7.00648 10.0772 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.5784 8.6777 6.80028 10.4838 6.91734 11.4983 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.13638 9.57292 6.13897 7.33437 8.81638 13.3524 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 6.32393 9.44 5.09579 10.8558 6.81812 9.4359 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 6.32393 8.47634 5.46299 10.8558 6.81812 11.2964 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.45679 8.03867 4.18875 10.6596 7.20326 7.42146 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 9.77482 5.94465 15.4855 5.17524 6.62561 10.1696 numMergedOcc 0
11 mol 117 unq 2 iso 0 dist 9.77482 5.94465 15.4855 10.7342 7.63616 16.0481 numMergedOcc 0
12 mol 117 unq 3 iso 0 dist 9.0428 5.94465 4.18875 6.3368 7.20326 7.42146 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.6461 5.86693 5.72856 4.93029 6.93652 7.46621 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 7.6461 5.86693 5.72856 5.83329 9.54444 10.8694 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 4.48898 8.94352 6.60281 6.97147 8.33261 6.73617 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 7.06711 7.50372 9.88741 10.7074 8.33261 16.915 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 9.70674 6.2669 3.72865 12.9245 9.19704 9.44789 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 8.03194 6.46335 6.19774 5.09263 8.53199 7.84952 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.20751 4.98907 6.93346 5.29393 6.49982 8.03012 numMergedOcc 0
