0 mol 1 unq 0 iso 0 dist 8.10712 9.40282 14.5115 7.48521 13.2243 6.86701 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.31993 8.64855 5.51361 11.3463 12.6624 8.84686 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 6.3453 8.64855 11.0036 11.3463 16.8729 8.84686 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.3613 8.36524 12.6572 10.0272 15.4691 7.18022 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 9.3613 8.36524 12.6572 6.65242 12.8382 6.24711 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 7.19567 6.84521 10.1001 6.59001 9.0979 6.66407 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 9.34433 6.84521 12.3867 6.59001 15.6527 6.66407 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.09042 8.27156 10.894 7.751 12.0846 6.9103 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 8.32033 8.27307 7.76775 5.29207 10.0598 5.99857 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 8.32033 6.92837 13.1847 5.29207 10.0598 6.9362 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 8.06901 5.48831 5.86484 10.6185 11.973 9.55118 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 8.06901 5.48831 5.86484 4.89334 10.7289 9.10345 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 9.58585 7.98132 5.86713 6.41869 13.9282 9.87329 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.7402 8.84656 8.44345 14.2595 14.581 9.33924 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.7402 8.84656 8.44345 15.9796 16.2038 7.93372 numMergedOcc 0
15 mol 139 unq 0 iso 0 dist 7.83417 5.11962 4.78289 5.21231 7.20542 5.80789 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.80779 7.73769 7.64386 4.33589 9.5233 5.37047 numMergedOcc 0
17 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 12.8554 17.8568 9.11204 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.33143 9.93754 6.89798 5.30128 8.94981 6.50998 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 8.33143 9.93754 6.89798 7.291 5.90986 9.09424 numMergedOcc 0
20 mol 225 unq 2 iso 0 dist 8.33143 9.93754 6.89798 15.2642 7.50697 8.14831 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 9.10154 7.57253 5.45696 8.96601 11.8553 6.71524 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 7.72368 7.80612 6.64693 11.091 12.5589 7.10671 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 7.72368 7.80612 6.64693 8.97902 10.3154 8.67156 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 7.63329 6.26533 5.54149 4.45177 8.27649 6.34915 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 7.29081 9.79022 11.0966 4.3735 6.95569 6.31969 numMergedOcc 0
26 mol 285 unq 0 iso 0 dist 8.17214 8.33653 5.93692 12.4844 13.1783 7.80862 numMergedOcc 0
27 mol 285 unq 1 iso 0 dist 4.49395 6.44657 9.237 7.67857 6.24134 7.80862 numMergedOcc 0
