0 mol 83 unq 0 iso 0 dist 9.48319 9.86416 15.2271 9.93908 14.0049 4.64184 6.77806 7.72515 16.1078 16.0039 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 6.63924 6.31237 6.0901 7.63006 9.5377 5.60279 4.48902 9.25496 10.0945 12.0137 numMergedOcc 0
2 mol 128 unq 0 iso 0 dist 8.20904 8.3127 11.1747 7.03633 12.0449 4.81686 12.8509 8.64054 14.3509 13.3878 numMergedOcc 0
3 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 9.5853 8.53414 5.4905 9.29575 6.38294 11.5748 10.8828 numMergedOcc 0
4 mol 206 unq 0 iso 0 dist 9.0815 9.90891 5.91558 7.47477 12.4995 12.7863 7.03455 6.52136 8.45825 13.7654 numMergedOcc 0
5 mol 209 unq 0 iso 0 dist 9.20752 5.92907 9.95971 9.95951 14.6137 5.96694 9.95813 9.07668 11.1427 17.0981 numMergedOcc 0
6 mol 209 unq 1 iso 0 dist 9.20752 5.92907 9.95971 6.43914 13.8537 4.90038 9.95813 9.07668 11.1427 14.2499 numMergedOcc 0
7 mol 225 unq 0 iso 0 dist 8.33143 8.14464 14.7684 6.06105 6.06047 9.4364 8.88571 7.65121 14.9243 8.47289 numMergedOcc 0
8 mol 225 unq 1 iso 0 dist 8.33143 9.93754 6.89798 6.06105 6.06047 10.6484 8.88571 7.65121 13.147 8.47289 numMergedOcc 0
9 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 9.33359 10.151 7.00028 5.81446 7.74348 5.90804 5.6241 numMergedOcc 0
10 mol 252 unq 0 iso 0 dist 5.41885 7.91348 5.96471 9.45457 11.8314 8.24423 6.93011 8.19645 13.2165 16.3464 numMergedOcc 0
11 mol 261 unq 0 iso 0 dist 6.93654 9.80409 13.3163 5.67349 11.2562 6.04016 4.95392 7.58385 13.5435 10.2554 numMergedOcc 0
12 mol 261 unq 1 iso 0 dist 6.93654 9.80409 13.3163 5.67349 11.2562 6.04016 6.94755 6.0437 12.1908 11.2569 numMergedOcc 0
13 mol 261 unq 2 iso 0 dist 9.66298 9.80409 13.6041 5.67349 13.4429 6.04016 6.94755 4.85199 12.1908 11.2569 numMergedOcc 0
14 mol 261 unq 3 iso 0 dist 9.66298 9.80409 13.6041 5.67349 13.4429 6.04016 17.3605 9.72159 20.1172 21.1638 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 9.79154 9.12324 6.7501 5.51191 6.45597 9.32175 13.8907 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 9.79154 9.12324 6.7501 5.51191 6.45597 9.32175 13.8907 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 9.79154 9.12324 6.7501 5.51191 6.45597 9.32175 13.8907 numMergedOcc 0
