0 mol 8 unq 0 iso 0 dist 8.76702 4.11115 8.89145 6.27477 8.02605 6.92865 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.27477 4.11115 6.92865 8.76702 8.02605 8.89145 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.48453 5.21083 6.53817 8.80499 5.14154 9.81769 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.80499 5.21083 9.81769 8.48453 5.14154 6.53817 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.31551 5.8853 6.99398 11.6732 4.52996 7.96 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.31551 9.66217 8.64208 14.2435 7.99329 7.9572 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 9.0339 14.2364 6.2403 8.48641 4.35917 8.34869 numMergedOcc 0
7 mol 132 unq 1 iso 0 dist 9.0339 8.84157 6.495 8.48641 4.35917 9.43748 numMergedOcc 0
8 mol 132 unq 2 iso 0 dist 8.48641 14.2364 8.34869 9.0339 4.35917 6.2403 numMergedOcc 0
9 mol 132 unq 3 iso 0 dist 8.48641 8.84157 9.43748 9.0339 4.35917 6.495 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.99089 12.6734 7.97208 11.6481 5.00817 5.67862 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 7.04318 8.21784 6.73365 11.9173 5.35493 9.45659 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 7.04318 8.21784 6.73365 15.7216 9.63234 9.44856 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 7.92766 3.96829 7.7292 6.32652 12.5143 6.27396 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.32652 3.96829 6.27396 7.92766 12.5143 7.7292 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.96424 4.36623 7.30244 5.40366 6.89336 7.29796 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 5.40366 4.36623 7.29796 7.96424 6.89336 7.30244 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 7.7309 11.0146 9.43169 10.6622 5.51688 7.15785 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 7.22438 10.4121 4.78812 7.66615 5.40809 6.62923 numMergedOcc 0
19 mol 272 unq 1 iso 0 dist 7.66615 10.4121 6.62923 7.22438 5.40809 4.78812 numMergedOcc 0
20 mol 276 unq 0 iso 0 dist 6.24808 7.74891 8.95876 12.5014 8.61035 8.259 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 7.70229 5.64349 6.84554 7.90792 4.66602 9.51581 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 7.90792 5.64349 9.51581 7.70229 4.66602 6.84554 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 7.18433 11.764 7.34344 15.8519 13.5089 8.08993 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 9.27402 13.4735 7.2795 9.26573 5.87439 9.41428 numMergedOcc 0
25 mol 284 unq 2 iso 0 dist 9.27402 15.519 7.35866 9.26573 5.87439 7.32482 numMergedOcc 0
26 mol 284 unq 3 iso 0 dist 9.26573 13.4735 9.41428 9.27402 5.87439 7.2795 numMergedOcc 0
27 mol 284 unq 4 iso 0 dist 9.26573 15.519 7.32482 9.27402 5.87439 7.35866 numMergedOcc 0
28 mol 284 unq 5 iso 0 dist 9.26573 16.3452 8.08993 22.6386 13.5089 7.34344 numMergedOcc 0
