0 mol 4 unq 0 iso 0 dist 7.02225 9.31285 7.41754 8.60134 8.14612 14.3737 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.02225 8.66947 12.1293 8.60134 8.14612 11.1776 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.05483 6.49709 11.0953 5.59847 7.01011 4.10106 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.24155 8.81762 8.58937 8.1133 6.03635 10.6667 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.24155 8.81762 8.58937 8.44727 11.6577 6.75472 numMergedOcc 0
5 mol 18 unq 2 iso 0 dist 8.24155 5.32149 6.81904 8.1133 6.03635 4.59668 numMergedOcc 0
6 mol 18 unq 3 iso 0 dist 8.24155 5.32149 6.81904 8.44727 11.6577 5.67577 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.34858 8.06275 5.90113 8.74209 4.9903 5.41726 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 8.55131 5.84326 5.02731 7.07124 9.72498 6.15355 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 9.25184 5.9651 9.32604 6.09085 11.1122 7.50975 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 9.43167 5.9651 6.38894 6.09085 13.3205 7.50975 numMergedOcc 0
11 mol 69 unq 0 iso 0 dist 8.53232 8.29727 9.22675 7.21134 15.3628 11.6801 numMergedOcc 0
12 mol 70 unq 0 iso 0 dist 7.68652 6.77833 14.2824 8.63204 9.91799 12.7012 numMergedOcc 0
13 mol 70 unq 1 iso 0 dist 7.68652 6.77833 14.2824 5.4014 9.70034 8.20805 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 9.2958 8.84131 9.50884 9.16431 4.9821 7.75097 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 9.71402 8.47907 11.9943 6.91978 8.45525 6.9791 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 9.16832 8.31276 16.9873 7.96353 9.0142 15.3018 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 9.16832 5.79157 6.34069 7.96353 9.0142 10.7951 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 9.16832 5.50687 5.70883 7.96353 9.0142 5.4761 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 9.16832 7.30919 7.91746 7.96353 9.0142 5.03507 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 7.24761 8.04723 12.0146 8.81097 4.16734 10.8373 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.04346 6.0639 8.3612 9.16579 13.1784 7.38602 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 9.04346 6.0639 8.3612 8.95209 11.0504 11.6282 numMergedOcc 0
23 mol 186 unq 2 iso 0 dist 9.04346 6.91355 13.6446 9.16579 13.1784 4.26355 numMergedOcc 0
24 mol 186 unq 3 iso 0 dist 9.04346 6.91355 13.6446 8.95209 11.0504 10.5033 numMergedOcc 0
25 mol 195 unq 0 iso 0 dist 8.27131 4.78641 5.87028 6.27266 6.84555 5.41635 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.23909 9.25882 9.15058 9.71147 6.57794 6.95738 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 6.23909 9.25882 9.15058 6.32553 7.41929 3.56269 numMergedOcc 0
28 mol 206 unq 0 iso 0 dist 8.90925 5.82039 5.73775 9.36144 10.8634 7.89575 numMergedOcc 0
29 mol 206 unq 1 iso 0 dist 8.90925 6.22964 8.50775 9.36144 10.8634 5.14674 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 7.36479 7.80612 7.95216 9.89379 11.2928 4.81639 numMergedOcc 0
