0 mol 43 unq 0 iso 0 dist 8.90024 6.84521 5.06502 13.2914 8.95682 12.3649 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 6.78532 6.45462 13.2914 8.95682 14.3789 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 6.92837 8.27307 8.99811 6.56303 9.97775 10.8967 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.96446 6.70686 5.04493 15.5614 8.18107 9.8859 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.96446 6.70686 5.04493 8.51558 5.9465 6.97962 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.70686 9.96446 5.04493 15.5614 9.8859 8.18107 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 6.70686 9.96446 5.04493 8.51558 6.97962 5.9465 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 7.4389 7.24527 4.98336 14.0908 7.80523 12.2341 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.71345 6.99793 11.6284 8.84017 6.84011 15.5929 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.50575 8.64107 10.4152 13.4067 6.92026 16.2704 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 8.43116 6.23645 6.5838 5.19545 6.92026 5.88249 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 6.23645 8.43116 6.5838 5.19545 5.88249 6.92026 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.66715 9.00172 8.18495 5.05981 9.22232 12.7901 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.66715 9.00172 8.18495 17.5205 9.22661 13.5028 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.66715 9.00172 8.18495 15.4908 7.56378 11.8433 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 4.68975 8.84656 7.11631 6.64576 5.83771 10.7586 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 4.68975 4.9155 5.79898 6.64576 5.83771 7.80532 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 4.9155 4.68975 5.79898 6.64576 7.80532 5.83771 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 4.9155 8.84656 5.00817 6.64576 7.80532 10.7586 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 5.79157 8.31276 11.6064 12.2847 9.94764 12.1214 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 5.79157 5.50687 7.09823 12.2847 9.94764 15.049 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 5.79157 7.30919 8.25185 12.2847 9.94764 17.8189 numMergedOcc 0
22 mol 196 unq 0 iso 0 dist 9.36732 9.79271 12.9389 9.71153 6.86319 14.5265 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 6.32302 6.88694 5.57838 6.7597 8.66332 11.1976 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.03917 6.56775 8.31875 4.88651 6.36341 6.21292 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 6.56775 9.03917 8.31875 4.88651 6.21292 6.36341 numMergedOcc 0
26 mol 235 unq 2 iso 0 dist 6.56775 9.03917 8.31875 6.99274 6.95126 13.9626 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 9.98268 6.83147 5.87439 4.58432 9.33437 7.8343 numMergedOcc 0
28 mol 284 unq 1 iso 0 dist 9.98268 7.43241 17.2899 4.58432 9.33437 10.7103 numMergedOcc 0
29 mol 284 unq 2 iso 0 dist 6.83147 9.98268 5.87439 4.58432 7.8343 9.33437 numMergedOcc 0
30 mol 284 unq 3 iso 0 dist 6.83147 7.43241 13.5089 4.58432 7.8343 10.7103 numMergedOcc 0
31 mol 284 unq 4 iso 0 dist 7.43241 9.98268 17.2899 10.1686 6.78191 19.341 numMergedOcc 0
32 mol 284 unq 5 iso 0 dist 7.43241 6.83147 13.5089 10.1686 6.78191 14.5221 numMergedOcc 0
