0 mol 16 unq 0 iso 0 dist 9.76968 5.36195 8.43054 8.8641 6.92781 6.57331 5.33179 11.0298 6.09368 6.42835 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 5.23233 11.037 12.1732 6.55597 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 13.5673 14.581 8.99147 9.71956 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 10.4709 13.0315 9.54872 7.07751 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 12.2787 17.2964 14.6175 8.23761 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 10.0172 16.4232 16.0628 7.52933 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.6396 13.591 9.49421 8.40051 10.9391 9.48085 6.29702 12.3944 12.7147 4.79873 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 6.36193 4.99692 9.22598 4.88613 4.81926 8.96727 3.70586 9.55996 6.20884 8.01308 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.06168 10.8798 5.61588 15.4463 8.07446 5.5087 13.7267 7.83244 5.30471 6.08682 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.06168 13.7267 7.83244 15.4463 8.07446 6.08682 10.8798 5.61588 5.30471 5.5087 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.67532 10.8441 5.61588 12.1964 8.07446 5.5087 15.2203 7.83244 5.30471 6.08682 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.67532 15.2203 7.83244 12.1964 8.07446 6.08682 10.8441 5.61588 5.30471 5.5087 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 13.9943 7.19663 6.85523 17.3308 12.35 8.2592 5.77326 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 9.23023 13.8703 6.85523 13.6324 7.19663 8.65848 17.128 11.5776 7.95975 7.25801 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.92932 3.76211 7.21868 9.60411 5.49782 7.93372 11.6349 13.9752 11.4107 9.33924 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 9.60369 4.63732 9.66543 12.1043 10.7144 7.93372 15.7509 18.0094 11.4107 9.33924 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 9.55556 4.63732 7.21868 12.1043 5.49782 7.93372 15.7509 13.9752 11.4107 9.33924 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 11.195 15.3823 11.196 6.64173 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 6.38851 8.40951 3.55187 9.55105 numMergedOcc 0
19 mol 207 unq 0 iso 0 dist 9.18896 5.10056 6.0563 10.3876 5.99308 9.98372 3.94578 8.1244 4.66347 9.1528 numMergedOcc 0
20 mol 207 unq 1 iso 0 dist 9.18896 3.94578 8.1244 10.3876 5.99308 9.1528 5.10056 6.0563 4.66347 9.98372 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 5.90645 9.54522 9.07743 9.73107 4.69778 7.66153 16.3293 12.8229 10.3051 9.63573 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 8.06771 9.0675 9.46361 11.1503 6.96053 6.95511 10.0741 10.3406 3.51848 5.85442 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 9.54857 5.49348 5.85442 9.56653 9.98105 6.9899 12.2785 11.7465 8.0048 8.03219 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 6.42725 6.09466 6.9899 9.73341 9.98105 5.85442 7.9016 10.4017 3.51848 6.95511 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.77689 17.8399 9.57499 17.2403 7.69449 5.46926 20.1297 11.4389 3.39114 5.13913 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 9.77689 17.8399 9.57499 19.3912 11.8268 8.9682 18.9179 15.5554 16.9644 9.35539 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 9.77689 17.8399 9.57499 19.3912 11.8268 8.9682 20.1297 11.4389 3.39114 6.92711 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 8.51931 6.17642 9.57499 8.96343 7.69449 5.46926 8.24206 11.4389 3.39114 5.13913 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 8.51931 6.17642 9.57499 9.71491 11.8268 8.9682 14.3886 15.5554 16.9644 9.35539 numMergedOcc 0
30 mol 277 unq 5 iso 0 dist 8.51931 6.17642 9.57499 9.71491 11.8268 8.9682 8.24206 11.4389 3.39114 6.92711 numMergedOcc 0
31 mol 277 unq 6 iso 0 dist 8.96343 6.17642 5.46926 9.71491 7.08227 8.9682 14.3886 14.9313 16.9644 9.35539 numMergedOcc 0
32 mol 277 unq 7 iso 0 dist 8.96343 6.17642 5.46926 9.71491 7.08227 8.9682 8.24206 5.13913 3.39114 6.92711 numMergedOcc 0
33 mol 277 unq 8 iso 0 dist 8.96343 8.24206 5.13913 9.71491 7.08227 6.92711 14.3886 14.9313 15.8851 9.35539 numMergedOcc 0
34 mol 277 unq 9 iso 0 dist 8.96343 8.24206 5.13913 9.71491 7.08227 6.92711 6.17642 5.46926 3.39114 8.9682 numMergedOcc 0
35 mol 277 unq 10 iso 0 dist 9.29635 12.2421 8.9682 14.3464 7.08227 5.46926 10.9521 6.92711 3.39114 5.13913 numMergedOcc 0
36 mol 277 unq 11 iso 0 dist 9.29635 10.9521 6.92711 14.3464 7.08227 5.13913 12.2421 8.9682 3.39114 5.46926 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 19.0288 10.3106 7.30758 21.746 13.4489 3.57128 9.46442 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 9.6898 18.4042 9.9182 19.0288 10.3106 7.30758 18.8735 13.7082 10.0941 9.5785 numMergedOcc 0
39 mol 292 unq 2 iso 0 dist 9.6898 18.4042 9.9182 19.0288 10.3106 7.30758 24.4628 18.0254 13.2166 9.76319 numMergedOcc 0
40 mol 292 unq 3 iso 0 dist 9.6898 18.4042 9.9182 20.8961 12.1693 9.10788 14.5738 8.9221 9.43063 8.85064 numMergedOcc 0
41 mol 292 unq 4 iso 0 dist 9.6898 14.5738 8.9221 20.8961 12.1693 8.85064 18.4042 9.9182 9.43063 9.10788 numMergedOcc 0
42 mol 292 unq 5 iso 0 dist 5.75596 6.65781 9.9182 10.9895 10.3106 7.30758 9.55943 13.4489 3.57128 9.46442 numMergedOcc 0
43 mol 292 unq 6 iso 0 dist 5.75596 6.65781 9.9182 10.9895 10.3106 7.30758 13.9034 13.7082 10.0941 9.5785 numMergedOcc 0
44 mol 292 unq 7 iso 0 dist 5.75596 6.65781 9.9182 10.9895 10.3106 7.30758 18.4517 18.0254 13.2166 9.76319 numMergedOcc 0
45 mol 292 unq 8 iso 0 dist 5.75596 6.65781 9.9182 8.37867 12.1693 9.10788 4.00064 8.9221 9.43063 8.85064 numMergedOcc 0
46 mol 292 unq 9 iso 0 dist 5.75596 4.00064 8.9221 8.37867 12.1693 8.85064 6.65781 9.9182 9.43063 9.10788 numMergedOcc 0
47 mol 292 unq 10 iso 0 dist 8.37867 6.65781 9.10788 5.75596 12.1693 9.9182 4.00064 8.85064 9.43063 8.9221 numMergedOcc 0
48 mol 292 unq 11 iso 0 dist 8.37867 6.65781 9.10788 10.9895 12.6861 7.30758 9.55943 9.96037 3.57128 9.46442 numMergedOcc 0
49 mol 292 unq 12 iso 0 dist 8.37867 6.65781 9.10788 10.9895 12.6861 7.30758 13.9034 18.9744 10.0941 9.5785 numMergedOcc 0
50 mol 292 unq 13 iso 0 dist 8.37867 6.65781 9.10788 10.9895 12.6861 7.30758 18.4517 21.1604 13.2166 9.76319 numMergedOcc 0
51 mol 292 unq 14 iso 0 dist 8.37867 4.00064 8.85064 5.75596 12.1693 8.9221 6.65781 9.10788 9.43063 9.9182 numMergedOcc 0
52 mol 292 unq 15 iso 0 dist 9.20416 12.3704 8.38121 18.2037 11.8061 9.90967 11.346 10.9396 8.10966 9.9886 numMergedOcc 0
53 mol 292 unq 16 iso 0 dist 7.53641 15.5666 8.38121 16.8329 11.8061 9.90967 15.2097 10.9396 8.10966 9.9886 numMergedOcc 0
