0 mol 5 unq 0 iso 0 dist 5.14917 9.05414 5.13643 5.14334 9.38842 11.4364 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.41842 5.73206 4.77227 12.6461 7.99091 10.4473 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.45063 6.51139 14.3405 5.91275 6.42931 12.0896 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 8.45063 6.91278 14.4796 5.91275 6.42931 12.4464 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.44077 9.76585 8.43173 5.41731 6.76674 12.5973 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 7.21809 7.00234 6.99469 14.8167 8.88417 15.7168 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 5.69055 7.30652 6.99469 12.8471 8.88417 15.7168 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 5.52999 8.99759 7.59764 5.3449 5.24823 10.8241 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 8.1375 8.75165 6.4251 7.3651 5.24823 6.79959 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 7.67877 9.48694 8.10796 11.7814 7.4963 10.9375 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 7.67877 9.48694 8.10796 6.58277 7.74278 13.8582 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 7.67877 9.48694 8.10796 13.7398 8.08807 15.47 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 5.01269 9.48694 5.55073 6.58277 8.54607 13.8582 numMergedOcc 0
13 mol 133 unq 4 iso 0 dist 8.61448 5.84909 8.13581 9.64947 8.08807 12.8101 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 9.8446 9.63241 5.54803 7.28318 9.13163 5.99596 numMergedOcc 0
15 mol 165 unq 1 iso 0 dist 9.8446 9.63241 5.54803 16.8597 7.74717 12.4047 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.7013 8.57666 4.40729 6.623 9.30469 7.30813 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.31333 6.36789 3.82682 7.05604 7.29651 10.0199 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 5.9919 7.15878 6.15362 4.75777 7.36542 10.2655 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 7.29764 6.96986 5.25426 4.63097 9.36832 9.88038 numMergedOcc 0
20 mol 276 unq 0 iso 0 dist 9.5388 7.73676 4.6652 15.2084 9.15041 13.4774 numMergedOcc 0
21 mol 293 unq 0 iso 0 dist 6.83404 8.04021 4.88851 6.89397 9.15753 9.65156 numMergedOcc 0
