0 mol 37 unq 0 iso 0 dist 8.40835 9.7385 12.0019 13.4556 9.25986 19.9258 4.81503 7.65802 13.6592 9.16636 numMergedOcc 0
1 mol 103 unq 0 iso 0 dist 8.70106 7.85115 11.2795 11.4822 7.81042 11.8039 5.40051 8.078 11.5009 8.96379 numMergedOcc 0
2 mol 103 unq 1 iso 0 dist 8.70106 7.85115 11.2795 11.4822 7.81042 11.8039 14.0531 6.56481 15.0168 5.73608 numMergedOcc 0
3 mol 148 unq 0 iso 0 dist 6.72591 7.91749 8.03052 7.50382 9.71692 14.9179 6.76353 9.18753 9.0735 11.8278 numMergedOcc 0
4 mol 150 unq 0 iso 0 dist 6.80192 7.96309 8.06512 7.48524 9.73708 14.9398 6.65519 9.15244 9.03593 11.6537 numMergedOcc 0
5 mol 165 unq 0 iso 0 dist 3.87901 6.74196 4.89071 9.24409 8.2197 5.03758 8.4352 7.21397 10.5145 10.5947 numMergedOcc 0
6 mol 165 unq 1 iso 0 dist 5.04534 6.72652 4.89071 6.58447 8.2197 5.03758 5.73847 7.21397 10.5145 10.5947 numMergedOcc 0
7 mol 165 unq 2 iso 0 dist 5.04534 6.4503 6.22764 6.58447 8.2197 4.63353 5.73847 7.21397 8.00005 10.5947 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 6.6514 8.87575 11.6251 10.8805 9.82329 19.3997 8.3419 7.20545 13.5665 9.97915 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 9.67207 8.42665 9.82858 8.0557 7.30965 13.0939 4.64973 6.2016 7.97601 5.21255 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 9.67207 8.42665 9.82858 8.0557 7.30965 13.0939 6.57816 8.3453 13.1706 5.1366 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 4.90334 9.06088 6.08881 6.42715 7.00683 12.3726 7.84606 9.52029 10.7507 8.61406 numMergedOcc 0
12 mol 282 unq 0 iso 0 dist 6.15396 8.36459 4.4471 5.46739 8.61456 11.9006 5.668 5.00258 7.21879 9.80233 numMergedOcc 0
13 mol 282 unq 1 iso 0 dist 6.15396 8.36459 4.4471 5.46739 8.61456 11.9006 8.54733 9.98886 14.1761 4.68809 numMergedOcc 0
14 mol 282 unq 2 iso 0 dist 9.18964 8.36459 10.1631 5.46739 8.41041 11.9006 5.668 8.22117 7.21879 9.80233 numMergedOcc 0
15 mol 282 unq 3 iso 0 dist 9.18964 8.36459 10.1631 5.46739 8.41041 11.9006 8.54733 6.81887 14.1761 4.68809 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 6.3448 8.3831 7.39416 11.5049 8.3815 15.7588 6.76599 5.71075 12.3862 4.87508 numMergedOcc 0
17 mol 283 unq 1 iso 0 dist 6.3448 8.3831 7.39416 5.47552 7.13925 10.1843 6.76599 5.71075 12.3862 7.75306 numMergedOcc 0
18 mol 283 unq 2 iso 0 dist 6.3448 8.44179 5.78526 11.5049 8.3815 13.0268 6.76599 5.71075 10.1356 4.87508 numMergedOcc 0
19 mol 283 unq 3 iso 0 dist 6.3448 8.44179 5.78526 5.47552 7.13925 11.5124 6.76599 5.71075 10.1356 7.75306 numMergedOcc 0
