0 mol 0 unq 0 iso 0 dist 7.92645 6.51408 4.76239 6.22902 11.6866 8.84413 8.53102 9.39951 7.74146 5.79741 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.92645 6.51408 4.76239 4.80868 8.38106 7.96742 10.9016 14.3865 12.7706 7.19397 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.92645 8.53102 9.39951 6.22902 11.6866 5.79741 6.51408 4.76239 7.74146 8.84413 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 6.91627 5.76006 7.18195 5.77108 4.62913 5.9021 13.3953 6.70723 12.3127 8.98466 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.49676 7.98333 12.6215 5.39032 7.96306 7.55357 9.81175 5.47531 9.56267 5.86972 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.48514 7.8855 7.03311 13.969 13.8224 7.14636 11.3956 10.3518 5.37162 6.67079 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 8.57785 7.8855 7.72419 13.969 13.655 7.14636 11.3956 12.8037 5.37162 6.67079 numMergedOcc 0
7 mol 55 unq 2 iso 0 dist 7.03751 8.29508 7.72419 10.1034 13.655 7.14636 12.8135 12.8037 5.37162 6.67079 numMergedOcc 0
8 mol 238 unq 0 iso 0 dist 8.92585 6.86905 14.946 5.98533 14.7714 5.33462 10.9762 19.397 4.85921 6.74214 numMergedOcc 0
9 mol 241 unq 0 iso 0 dist 9.33399 9.744 5.37052 6.51459 8.96917 7.41298 7.62827 4.58303 6.59047 9.99337 numMergedOcc 0
10 mol 241 unq 1 iso 0 dist 9.33399 7.62827 4.58303 6.51459 8.96917 9.99337 9.744 5.37052 6.59047 7.41298 numMergedOcc 0
11 mol 254 unq 0 iso 0 dist 6.74048 7.80528 5.24816 5.21462 5.17988 9.36171 10.9766 4.6577 8.83027 7.87218 numMergedOcc 0
12 mol 254 unq 1 iso 0 dist 6.74048 7.80528 5.24816 8.99739 8.76115 7.53352 12.9508 9.11887 5.93819 7.80793 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 8.62592 8.8726 3.95075 4.69752 9.52903 7.70189 10.6825 13.2258 9.86352 6.08181 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.83706 8.13376 4.77489 15.4511 8.79685 8.91916 10.9643 4.59239 4.70261 4.55368 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 6.86805 7.87939 10.8888 5.26607 11.4475 8.61786 12.7807 19.1319 11.4983 8.42706 numMergedOcc 0
