0 mol 0 unq 0 iso 0 dist 7.79534 5.25456 7.40865 13.5517 9.11323 9.6994 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.79534 5.25456 7.40865 9.5614 9.46298 7.15528 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.88546 13.452 7.07399 8.9856 4.29582 8.38064 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 5.36911 6.05535 6.72833 9.04834 6.51133 4.7319 numMergedOcc 0
4 mol 16 unq 1 iso 0 dist 5.36911 5.72175 6.93532 8.17898 5.30082 5.05803 numMergedOcc 0
5 mol 16 unq 2 iso 0 dist 5.36911 5.72175 6.93532 10.6491 10.4366 6.31718 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.3964 14.959 8.4051 12.6611 5.11617 5.54419 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 8.3964 14.959 8.4051 18.5238 13.2229 7.36323 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.3964 7.79468 7.29868 12.9306 8.52463 6.86014 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 8.3964 9.85198 8.60554 12.9306 8.52463 8.86116 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 8.3964 9.85198 8.60554 16.5811 12.3994 8.38394 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 7.06532 5.75653 8.23446 11.0381 13.1779 5.54419 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 7.06532 5.75653 8.23446 5.87895 6.38336 7.36323 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 8.61491 13.395 6.85556 14.2542 5.68392 6.03987 numMergedOcc 0
14 mol 41 unq 0 iso 0 dist 6.07294 8.85978 8.51663 10.0713 8.94326 6.19529 numMergedOcc 0
15 mol 60 unq 0 iso 0 dist 8.04272 10.0675 9.90939 8.8058 7.04075 8.7531 numMergedOcc 0
16 mol 64 unq 0 iso 0 dist 9.23947 5.59762 9.97159 5.54343 6.21578 9.67592 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 6.66506 12.8388 9.24757 5.79954 5.11416 9.96396 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 6.66506 12.8388 9.24757 10.4766 6.56633 6.19304 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 6.66506 12.8388 9.24757 15.4777 15.3808 8.70481 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 9.18097 10.5346 9.82915 15.5717 9.29301 7.97049 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 9.18097 10.5346 9.82915 17.3382 13.5116 7.47541 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 8.83135 18.2314 9.82915 14.5836 9.29301 7.97049 numMergedOcc 0
23 mol 85 unq 3 iso 0 dist 8.83135 18.2314 9.82915 20.3056 13.5116 7.47541 numMergedOcc 0
24 mol 85 unq 4 iso 0 dist 9.04728 3.85308 7.54568 11.7729 10.2865 7.95579 numMergedOcc 0
25 mol 85 unq 5 iso 0 dist 9.04728 3.85308 7.54568 9.8682 8.09967 6.19965 numMergedOcc 0
26 mol 85 unq 6 iso 0 dist 9.04728 3.85308 7.54568 9.22376 4.65335 7.66905 numMergedOcc 0
27 mol 85 unq 7 iso 0 dist 9.04728 9.77828 9.39864 9.22376 4.65335 5.73196 numMergedOcc 0
28 mol 92 unq 0 iso 0 dist 8.96747 6.09495 8.91313 10.869 17.5889 9.33898 numMergedOcc 0
29 mol 92 unq 1 iso 0 dist 8.96747 6.09495 8.91313 14.4679 13.3881 9.64443 numMergedOcc 0
30 mol 92 unq 2 iso 0 dist 6.15654 5.1767 6.95572 10.9081 9.50382 7.4729 numMergedOcc 0
31 mol 92 unq 3 iso 0 dist 6.15654 5.1767 6.95572 10.3582 7.56363 6.82344 numMergedOcc 0
32 mol 92 unq 4 iso 0 dist 7.89887 5.1767 7.38677 10.9081 12.7565 7.4729 numMergedOcc 0
33 mol 92 unq 5 iso 0 dist 7.89887 5.1767 7.38677 10.3582 5.91004 6.82344 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 6.56978 13.2001 7.80975 13.4881 7.97897 8.87449 numMergedOcc 0
35 mol 100 unq 1 iso 0 dist 6.56978 6.23541 7.10378 13.0766 10.6848 7.17106 numMergedOcc 0
36 mol 101 unq 0 iso 0 dist 7.73086 4.51951 6.98314 10.0014 5.53055 6.57035 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 6.67326 5.81718 6.73586 9.85387 5.13589 6.18601 numMergedOcc 0
38 mol 125 unq 0 iso 0 dist 7.00113 6.06241 7.73435 9.63302 7.43922 8.62381 numMergedOcc 0
39 mol 125 unq 1 iso 0 dist 9.85979 6.06241 9.3778 9.63302 11.0769 8.62381 numMergedOcc 0
40 mol 129 unq 0 iso 0 dist 7.32407 5.99695 9.36851 10.482 10.7293 5.83384 numMergedOcc 0
41 mol 129 unq 1 iso 0 dist 6.48695 5.99695 4.97175 10.482 7.29399 5.83384 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 8.79832 7.42609 9.77896 6.6776 8.29015 6.57069 numMergedOcc 0
43 mol 197 unq 0 iso 0 dist 9.87211 8.58314 7.50013 16.0172 8.46623 8.56633 numMergedOcc 0
44 mol 197 unq 1 iso 0 dist 6.3997 8.58314 5.81233 16.0172 10.7305 8.56633 numMergedOcc 0
45 mol 204 unq 0 iso 0 dist 9.46973 18.5654 9.68728 16.9329 7.67571 7.10633 numMergedOcc 0
46 mol 204 unq 1 iso 0 dist 9.46973 18.5654 9.68728 17.8571 10.8573 8.51516 numMergedOcc 0
47 mol 204 unq 2 iso 0 dist 8.82861 9.54287 7.32294 7.7292 5.86489 8.51516 numMergedOcc 0
48 mol 205 unq 0 iso 0 dist 5.63477 4.25942 6.03688 9.82156 8.15057 6.03031 numMergedOcc 0
49 mol 205 unq 1 iso 0 dist 5.63477 4.25942 6.03688 10.4618 12.4957 7.26832 numMergedOcc 0
50 mol 205 unq 2 iso 0 dist 5.63477 4.25942 6.03688 9.3629 6.09749 7.80463 numMergedOcc 0
51 mol 220 unq 0 iso 0 dist 7.46122 10.6943 6.59716 8.9077 7.11498 9.23153 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 8.27761 13.7819 9.40808 10.8093 4.9377 8.27212 numMergedOcc 0
53 mol 232 unq 1 iso 0 dist 9.25162 16.9877 9.05071 14.8591 8.80479 8.27212 numMergedOcc 0
54 mol 241 unq 0 iso 0 dist 9.30143 8.4988 7.89524 12.445 4.45049 7.4631 numMergedOcc 0
55 mol 278 unq 0 iso 0 dist 9.73172 4.7203 8.00673 11.3851 4.97614 8.44326 numMergedOcc 0
