0 mol 8 unq 0 iso 0 dist 9.95422 9.00925 15.0835 8.89145 12.7683 5.7343 9.95165 16.7733 14.4767 12.1308 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.95422 9.00925 15.0835 6.92865 12.3778 11.3728 9.95165 16.7733 14.4767 5.02333 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.65219 9.00925 15.5539 8.89145 13.0138 5.7343 9.95165 7.20987 14.4767 12.1308 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 7.65219 9.00925 15.5539 6.92865 5.95251 11.3728 9.95165 7.20987 14.4767 5.02333 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 6.8824 9.3147 5.83115 7.78708 5.3957 9.38012 8.75332 6.57527 4.99617 6.62608 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 6.8824 9.3147 5.83115 7.84393 10.38 10.5285 8.75332 6.57527 4.99617 6.49317 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 6.8824 9.79426 13.3381 7.78708 5.3957 9.55318 8.75332 6.57527 13.9869 6.62608 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 6.8824 9.79426 13.3381 7.84393 10.38 9.84922 8.75332 6.57527 13.9869 6.49317 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 8.33492 9.3147 15.1867 7.78708 10.6828 9.38012 8.75332 11.9235 4.99617 6.62608 numMergedOcc 0
9 mol 19 unq 5 iso 0 dist 8.33492 9.3147 15.1867 7.84393 6.01189 10.5285 8.75332 11.9235 4.99617 6.49317 numMergedOcc 0
10 mol 19 unq 6 iso 0 dist 8.33492 9.79426 6.1852 7.78708 10.6828 9.55318 8.75332 11.9235 13.9869 6.62608 numMergedOcc 0
11 mol 19 unq 7 iso 0 dist 8.33492 9.79426 6.1852 7.84393 6.01189 9.84922 8.75332 11.9235 13.9869 6.49317 numMergedOcc 0
12 mol 48 unq 0 iso 0 dist 9.65989 8.36915 5.70853 5.36645 10.2391 8.03277 7.31914 10.2616 5.09588 7.34452 numMergedOcc 0
13 mol 48 unq 1 iso 0 dist 9.65989 6.01454 11.7008 5.36645 10.2391 9.26483 7.31914 10.2616 5.01407 7.34452 numMergedOcc 0
14 mol 48 unq 2 iso 0 dist 8.66272 8.36915 4.8908 5.36645 10.8186 8.03277 7.31914 5.5322 5.09588 7.34452 numMergedOcc 0
15 mol 48 unq 3 iso 0 dist 8.66272 6.01454 5.82846 5.36645 10.8186 9.26483 7.31914 5.5322 5.01407 7.34452 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 7.32268 8.36667 8.99315 8.24121 8.0675 14.9981 8.26633 4.03806 12.6278 4.85355 numMergedOcc 0
17 mol 69 unq 1 iso 0 dist 7.32268 8.36667 8.99315 8.52371 12.8766 13.689 8.26633 4.03806 12.6278 12.7346 numMergedOcc 0
18 mol 69 unq 2 iso 0 dist 7.32268 8.36667 8.99315 6.8198 7.98306 5.23597 8.26633 4.03806 12.6278 10.7616 numMergedOcc 0
19 mol 103 unq 0 iso 0 dist 5.24823 7.57822 8.47667 7.55805 5.54757 6.35372 9.39702 5.23889 8.20815 6.29991 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 7.78154 6.68364 4.62682 5.30872 7.64386 5.4432 8.07799 7.7395 7.37131 3.86476 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 5.9183 6.68364 9.74045 5.30872 5.11989 5.4432 8.07799 5.41947 7.37131 3.86476 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 4.47148 9.08767 5.36423 9.08672 7.6995 5.17355 5.67811 6.90619 8.32573 5.81909 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 4.47148 9.08767 5.36423 9.08672 7.6995 5.17355 8.74308 12.7755 16.45 14.4635 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 6.45234 7.35148 9.97963 7.30244 8.70715 10.48 8.31564 9.49627 6.57369 14.3172 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 6.45234 7.35148 9.97963 7.29796 10.898 5.23846 8.31564 9.49627 6.57369 11.1607 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 8.67216 7.38609 6.34332 7.93727 6.25282 6.25956 9.08444 9.55783 4.73244 5.70265 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 7.78736 9.47963 12.1488 6.86342 11.5163 7.94887 9.12227 9.18346 12.8423 7.09757 numMergedOcc 0
