0 mol 26 unq 0 iso 0 dist 9.07029 7.54726 8.6112 4.18634 9.63803 5.23054 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.30547 16.7996 9.47718 13.9221 8.55202 5.91159 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.00045 8.98763 9.46472 11.1577 4.62314 13.8703 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.00045 8.98763 9.46472 11.2541 4.41745 13.4395 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.00045 8.98763 9.46472 14.937 6.35234 11.9719 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.12919 11.1775 5.96486 11.932 5.73799 3.71228 numMergedOcc 0
6 mol 81 unq 1 iso 0 dist 9.12919 11.1775 5.96486 6.10195 8.38883 7.58448 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.82522 5.73392 8.36326 13.3438 9.70292 10.1179 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 6.82522 5.73392 8.36326 11.578 9.59704 11.97 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 9.89353 13.5149 8.36326 5.89506 9.70292 10.1179 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 9.89353 13.5149 8.36326 6.40728 9.59704 11.97 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 4.9418 12.2608 9.57953 6.18487 4.49975 11.9103 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 7.92498 12.3412 9.64281 9.33696 6.12348 7.09333 numMergedOcc 0
13 mol 146 unq 0 iso 0 dist 6.98479 6.98043 9.03955 4.84029 8.85403 8.45835 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 5.67586 9.67496 7.10223 4.78116 5.06116 5.18463 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 8.11268 12.4151 9.83308 9.33941 6.27683 7.0638 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 8.11268 12.392 8.97159 9.33941 6.27683 13.7432 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 9.53702 15.7265 8.59783 11.4368 6.51523 9.12839 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 6.88947 15.0721 9.80584 8.2928 7.93715 9.82173 numMergedOcc 0
19 mol 192 unq 1 iso 0 dist 6.88947 12.6382 7.95713 8.2928 7.93715 9.52963 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 9.66554 5.52872 8.31651 10.7866 9.49163 8.51677 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 7.55878 3.73772 7.74693 6.49444 8.7831 4.98419 numMergedOcc 0
22 mol 233 unq 1 iso 0 dist 7.55878 3.73772 7.74693 6.63339 9.61071 7.08719 numMergedOcc 0
23 mol 233 unq 2 iso 0 dist 7.55878 3.73772 7.74693 9.86764 7.1229 10.7478 numMergedOcc 0
24 mol 233 unq 3 iso 0 dist 4.91191 10.5268 7.74693 9.1334 8.7831 4.98419 numMergedOcc 0
25 mol 233 unq 4 iso 0 dist 4.91191 10.5268 7.74693 9.81222 9.61071 7.08719 numMergedOcc 0
26 mol 233 unq 5 iso 0 dist 4.91191 10.5268 7.74693 5.17683 7.1229 10.7478 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 9.59101 4.56191 7.14598 9.83969 7.23526 10.6382 numMergedOcc 0
28 mol 285 unq 0 iso 0 dist 9.33149 14.8277 8.12306 12.3683 8.69325 7.22841 numMergedOcc 0
29 mol 285 unq 1 iso 0 dist 9.33149 14.8277 8.12306 13.1909 5.09181 6.01574 numMergedOcc 0
30 mol 285 unq 2 iso 0 dist 5.77107 9.78456 8.12306 13.2325 8.69325 7.22841 numMergedOcc 0
31 mol 285 unq 3 iso 0 dist 5.77107 9.78456 8.12306 7.67857 5.09181 6.01574 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 8.99187 5.50542 8.35169 10.5437 5.72473 10.0594 numMergedOcc 0
