0 mol 12 unq 0 iso 0 dist 5.44478 9.41745 6.9065 7.77531 9.78092 10.0509 5.70264 8.15864 9.75368 11.9718 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.83248 9.15042 10.6711 8.21283 9.79678 15.2131 10.3387 8.84944 14.9221 4.22382 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 4.7211 7.45114 11.0507 14.3839 9.52061 8.59695 15.8255 numMergedOcc 0
3 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 8.84157 7.73306 6.495 9.07803 9.39389 12.625 8.41467 numMergedOcc 0
4 mol 132 unq 1 iso 0 dist 7.14447 8.48641 11.8999 8.84157 7.73306 9.43748 9.07803 9.39389 14.9674 8.41467 numMergedOcc 0
5 mol 132 unq 2 iso 0 dist 7.14447 6.23573 5.77316 8.84157 7.73306 12.0928 9.07803 9.39389 12.4587 8.41467 numMergedOcc 0
6 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 9.88308 8.22267 12.503 4.60682 8.27913 10.8493 9.4786 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 8.94989 8.40971 11.1541 4.64973 6.2016 13.125 9.45543 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 9.67207 9.05666 15.8138 8.94989 8.40971 11.1541 6.57816 8.3453 12.5081 5.39993 numMergedOcc 0
9 mol 252 unq 0 iso 0 dist 9.31855 9.78185 13.943 8.64467 5.75279 16.3718 11.2871 8.19645 18.9334 7.73883 numMergedOcc 0
10 mol 259 unq 0 iso 0 dist 9.49732 6.49599 11.0067 6.86723 8.06955 11.8745 14.4507 8.54422 17.5095 8.52607 numMergedOcc 0
11 mol 259 unq 1 iso 0 dist 9.49732 6.49599 11.0067 6.86723 8.06955 11.8745 10.4459 7.67473 13.7569 4.55934 numMergedOcc 0
12 mol 259 unq 2 iso 0 dist 9.49732 9.34738 11.569 6.86723 8.06955 14.7735 14.4507 8.54422 19.5056 8.52607 numMergedOcc 0
13 mol 259 unq 3 iso 0 dist 9.49732 9.34738 11.569 6.86723 8.06955 14.7735 10.4459 7.67473 16.595 4.55934 numMergedOcc 0
14 mol 259 unq 4 iso 0 dist 9.49732 9.47382 6.18571 6.86723 8.06955 11.1172 14.4507 8.54422 13.119 8.52607 numMergedOcc 0
15 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 6.86723 8.06955 11.1172 10.4459 7.67473 10.895 4.55934 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 8.0652 7.11272 11.0506 7.74891 9.15041 14.6555 6.40983 7.60807 11.5159 7.75603 numMergedOcc 0
17 mol 276 unq 1 iso 0 dist 8.0652 6.24808 5.88008 7.74891 9.15041 8.95876 6.40983 7.60807 10.1908 7.75603 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 6.89455 7.92491 6.41403 10.9579 8.53155 12.7288 9.33643 9.28067 14.8501 9.90768 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 8.821 7.92491 4.69801 11.4144 8.76844 12.4274 12.3485 9.243 12.4981 11.6694 numMergedOcc 0
20 mol 283 unq 2 iso 0 dist 9.82337 7.92491 13.1972 15.3462 8.92124 21.0329 9.33643 5.71075 14.8501 6.69432 numMergedOcc 0
21 mol 293 unq 0 iso 0 dist 8.27274 8.90008 9.35524 11.1018 9.15753 16.2182 6.26633 6.42608 5.44043 11.0181 numMergedOcc 0
