0 mol 18 unq 0 iso 0 dist 8.95573 6.91413 11.2059 4.86477 8.09187 9.30649 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 8.71628 6.81416 6.31611 9.24986 8.19827 11.8459 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 8.8533 4.80984 8.4126 7.84204 12.526 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.21143 6.22124 5.99852 5.15508 9.03391 5.85153 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 5.62294 4.67358 4.95817 5.00416 5.48202 7.34145 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.94447 9.05365 16.7805 4.8668 5.45882 13.8198 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.94447 9.05365 16.7805 8.60367 4.57487 17.5024 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.6785 5.36473 7.27945 8.14095 5.96977 6.4569 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 5.81632 6.03116 8.33921 5.71332 5.97134 11.3683 numMergedOcc 0
9 mol 209 unq 0 iso 0 dist 5.20111 9.95951 9.89528 4.41097 8.62439 14.1398 numMergedOcc 0
10 mol 209 unq 1 iso 0 dist 5.20111 6.43914 9.02883 4.41097 8.62439 9.90699 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 9.3099 5.5826 5.8333 15.4987 8.54425 10.8578 numMergedOcc 0
12 mol 264 unq 0 iso 0 dist 8.75957 9.91954 10.9186 17.1788 8.56867 16.8794 numMergedOcc 0
13 mol 264 unq 1 iso 0 dist 8.75957 9.91954 10.9186 15.0574 6.29872 15.2138 numMergedOcc 0
14 mol 281 unq 0 iso 0 dist 9.26654 6.42743 10.3569 7.60311 9.94612 13.2542 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 8.70062 6.89742 9.62906 7.70421 7.77225 13.0912 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 8.70062 6.89742 9.62906 9.73619 5.50067 11.7936 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 8.70062 6.89742 9.62906 7.70421 7.77225 13.0912 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 8.70062 6.89742 9.62906 9.73619 5.50067 11.7936 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 8.70062 6.89742 9.62906 7.70421 7.77225 13.0912 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 8.70062 6.89742 9.62906 9.73619 5.50067 11.7936 numMergedOcc 0
