0 mol 26 unq 0 iso 0 dist 8.90473 10.0227 8.6385 17.2602 12.2574 8.06929 7.12852 4.74747 7.61055 13.5746 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.90473 10.0227 8.6385 16.3415 12.8213 8.58514 7.12852 4.74747 7.61055 10.7796 numMergedOcc 0
2 mol 94 unq 0 iso 0 dist 8.01724 5.25393 8.16733 10.8946 4.28796 9.43351 5.80964 8.20144 5.18655 8.59595 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 6.34542 6.40295 7.71107 9.77669 4.41283 8.28541 12.5893 7.59143 9.41723 4.10604 numMergedOcc 0
4 mol 178 unq 0 iso 0 dist 8.04723 5.24118 4.92088 11.1418 4.51874 8.56251 5.85439 5.25267 5.98771 6.03496 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 9.52413 12.1191 9.83476 21.1624 18.5326 9.67802 13.8614 13.1933 7.94153 10.3571 numMergedOcc 0
6 mol 186 unq 1 iso 0 dist 9.52413 12.1191 9.83476 15.1174 7.37734 9.18314 13.8614 13.1933 7.94153 10.5919 numMergedOcc 0
7 mol 195 unq 0 iso 0 dist 7.39185 9.67099 6.60567 14.2689 7.24106 9.96728 18.9596 13.6975 9.79691 12.5054 numMergedOcc 0
8 mol 195 unq 1 iso 0 dist 4.78641 9.33058 6.60567 11.6868 7.24106 9.96728 16.5892 13.6975 9.79691 12.5054 numMergedOcc 0
9 mol 218 unq 0 iso 0 dist 9.79816 10.888 5.76954 6.25383 5.09263 7.84953 14.723 9.68444 6.86795 10.2089 numMergedOcc 0
10 mol 218 unq 1 iso 0 dist 9.79816 10.888 5.76954 6.25383 5.09263 7.84953 5.66171 7.47048 6.61099 4.40481 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 9.93754 9.46577 6.6561 13.0936 6.7444 7.10883 13.4387 8.69249 5.13453 4.42378 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 8.97461 11.3332 5.64181 7.41211 5.37535 9.08573 10.3728 10.4664 8.6597 13.6191 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 8.97461 11.3332 5.64181 7.41211 5.37535 9.08573 15.2625 11.2717 7.47235 15.696 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 8.97461 11.3332 5.64181 7.41211 5.37535 9.08573 13.9178 5.17471 6.44735 10.0858 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 8.97461 11.3332 5.64181 7.41211 5.37535 9.08573 12.2479 5.03393 5.91208 6.29509 numMergedOcc 0
16 mol 238 unq 4 iso 0 dist 6.94654 9.80929 7.61393 10.1003 4.14233 9.08573 12.298 13.3539 8.6597 13.6191 numMergedOcc 0
17 mol 238 unq 5 iso 0 dist 6.94654 9.80929 7.61393 10.1003 4.14233 9.08573 14.7242 14.7509 7.47235 15.696 numMergedOcc 0
18 mol 238 unq 6 iso 0 dist 6.94654 9.80929 7.61393 10.1003 4.14233 9.08573 15.4716 10.7999 6.44735 10.0858 numMergedOcc 0
19 mol 238 unq 7 iso 0 dist 6.94654 9.80929 7.61393 10.1003 4.14233 9.08573 11.3465 5.49433 5.91208 6.29509 numMergedOcc 0
20 mol 238 unq 8 iso 0 dist 8.89487 11.3332 7.61393 7.41211 4.14233 9.08573 10.3728 13.3539 8.6597 13.6191 numMergedOcc 0
21 mol 238 unq 9 iso 0 dist 8.89487 11.3332 7.61393 7.41211 4.14233 9.08573 15.2625 14.7509 7.47235 15.696 numMergedOcc 0
22 mol 238 unq 10 iso 0 dist 8.89487 11.3332 7.61393 7.41211 4.14233 9.08573 13.9178 10.7999 6.44735 10.0858 numMergedOcc 0
23 mol 238 unq 11 iso 0 dist 8.89487 11.3332 7.61393 7.41211 4.14233 9.08573 12.2479 5.49433 5.91208 6.29509 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.151 6.63088 6.57903 11.3619 4.627 9.70241 10.4162 9.92201 7.25677 10.4764 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 8.33977 14.3997 6.57903 9.581 4.627 9.70241 17.1323 9.92201 7.25677 10.4764 numMergedOcc 0
