0 mol 19 unq 0 iso 0 dist 7.09123 6.79758 4.44575 7.99314 9.83305 8.75001 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.81779 7.49678 8.22614 5.37112 11.7606 5.06188 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.36203 6.31934 10.8346 8.773 17.6992 9.11512 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.65864 7.52544 10.205 4.77004 5.05941 5.73235 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 8.65864 8.08674 7.90785 4.77004 5.05941 7.48127 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 6.54242 5.90675 7.4117 9.40832 14.1988 8.03869 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 8.39198 7.53333 8.4153 5.2815 9.20746 6.90966 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 6.70803 7.53333 10.8341 5.2815 11.6882 6.90966 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.26252 7.88328 10.2078 7.4328 15.4132 7.93793 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 9.24867 8.97036 8.47722 12.389 14.7745 6.94745 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.66981 7.88346 4.14823 5.57673 6.35449 5.40826 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.66981 9.6112 11.7354 9.53483 13.444 6.87456 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.58058 7.17789 16.0789 10.2242 15.5933 9.2254 numMergedOcc 0
13 mol 211 unq 0 iso 0 dist 9.05403 7.49132 10.7664 11.2256 17.9716 8.10779 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 7.72115 9.06221 14.739 4.67806 9.91079 6.9103 numMergedOcc 0
15 mol 233 unq 1 iso 0 dist 6.43615 9.06221 14.6662 4.67806 10.9727 6.9103 numMergedOcc 0
16 mol 245 unq 0 iso 0 dist 6.78907 5.70624 5.24264 4.95438 11.6545 9.96585 numMergedOcc 0
17 mol 245 unq 1 iso 0 dist 6.78907 5.70624 5.24264 5.42329 10.5731 7.27022 numMergedOcc 0
18 mol 245 unq 2 iso 0 dist 6.78907 5.70624 5.24264 12.1537 12.7967 7.95061 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.70984 5.50553 5.41409 11.0096 12.6331 9.8165 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 6.33388 8.92737 10.2832 9.82894 13.3918 6.37998 numMergedOcc 0
