0 mol 0 unq 0 iso 0 dist 8.24206 5.25456 7.37981 6.19218 9.98828 7.19621 13.5517 12.7599 9.6994 9.95 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.24206 5.25456 7.37981 6.19218 9.98828 7.19621 9.5614 13.3337 7.15528 6.83587 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 6.19218 5.25456 7.19621 8.24206 9.98828 7.37981 13.5517 9.95 9.6994 12.7599 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 6.19218 5.25456 7.19621 8.24206 9.98828 7.37981 9.5614 6.83587 7.15528 13.3337 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.19397 7.1599 7.19621 13.6664 9.98828 7.37981 12.3538 9.95 9.6994 12.7599 numMergedOcc 0
5 mol 0 unq 5 iso 0 dist 7.19397 7.1599 7.19621 13.6664 9.98828 7.37981 5.55156 6.83587 7.15528 13.3337 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 8.30431 6.32949 9.62468 4.628 8.0979 5.92705 9.59947 10.7369 6.65721 5.4671 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 8.30431 6.32949 9.62468 4.628 8.0979 5.92705 12.3891 11.5608 6.72123 10.1513 numMergedOcc 0
8 mol 61 unq 2 iso 0 dist 4.628 6.32949 5.92705 8.30431 8.0979 9.62468 9.59947 5.4671 6.65721 10.7369 numMergedOcc 0
9 mol 61 unq 3 iso 0 dist 4.628 6.32949 5.92705 8.30431 8.0979 9.62468 12.3891 10.1513 6.72123 11.5608 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 9.27355 5.47475 7.26679 10.392 10.4716 9.96396 8.31041 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.39171 10.5627 6.89722 9.27355 5.47475 7.26679 6.30194 5.2774 6.19304 5.44275 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.39171 10.5627 6.89722 9.27355 5.47475 7.26679 18.5427 13.9156 8.70481 11.2674 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.27355 10.8067 9.68526 8.60363 4.4628 9.72442 10.392 8.31041 9.38498 11.7069 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 9.27355 10.5627 7.26679 5.39171 5.47475 6.89722 10.392 8.31041 9.96396 10.4716 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 9.27355 10.5627 7.26679 5.39171 5.47475 6.89722 6.30194 5.44275 6.19304 5.2774 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 9.27355 10.5627 7.26679 5.39171 5.47475 6.89722 18.5427 11.2674 8.70481 13.9156 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 8.60363 10.8067 9.72442 9.27355 4.4628 9.68526 10.392 11.7069 9.38498 8.31041 numMergedOcc 0
18 mol 73 unq 8 iso 0 dist 9.27331 10.163 9.72442 10.0291 4.4628 9.68526 15.2052 11.7069 9.38498 8.31041 numMergedOcc 0
19 mol 130 unq 0 iso 0 dist 6.94435 6.34094 9.91643 13.8661 15.0214 7.83619 11.1774 7.40242 9.28393 10.0837 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 6.03184 7.01839 5.08206 12.3723 11.5099 9.0018 12.1783 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 6.21546 5.73338 8.69888 6.03184 7.01839 5.08206 6.73365 5.50014 5.6234 7.28617 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 6.21546 5.73338 8.69888 6.03184 7.01839 5.08206 9.45659 7.39186 6.57069 5.77256 numMergedOcc 0
23 mol 175 unq 3 iso 0 dist 6.03184 5.73338 5.08206 6.21546 7.01839 8.69888 12.3723 12.1783 9.0018 11.5099 numMergedOcc 0
24 mol 175 unq 4 iso 0 dist 6.03184 5.73338 5.08206 6.21546 7.01839 8.69888 6.73365 7.28617 5.6234 5.50014 numMergedOcc 0
25 mol 175 unq 5 iso 0 dist 6.03184 5.73338 5.08206 6.21546 7.01839 8.69888 9.45659 5.77256 6.57069 7.39186 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 8.78709 9.49952 6.00053 15.5964 8.67658 7.44191 16.4033 11.1879 8.03334 9.60754 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.47122 15.4433 9.75313 18.5793 11.6002 6.08709 13.3678 6.46679 6.61986 7.85135 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 5.97988 6.70321 6.08709 15.7687 11.6002 9.75313 11.2702 7.85135 6.61986 6.46679 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 6.6537 4.55824 9.75313 9.08719 11.6002 6.08709 7.04127 6.46679 6.61986 7.85135 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 9.08719 4.55824 6.08709 6.6537 11.6002 9.75313 7.04127 7.85135 6.61986 6.46679 numMergedOcc 0
31 mol 224 unq 4 iso 0 dist 7.58998 6.87755 6.23882 11.9987 6.35724 6.56437 12.2287 15.0038 8.95269 14.2632 numMergedOcc 0
32 mol 224 unq 5 iso 0 dist 7.58998 6.87755 6.23882 15.2131 13.2305 9.53131 12.2287 15.0038 8.95269 9.59595 numMergedOcc 0
33 mol 224 unq 6 iso 0 dist 7.58998 6.87755 6.23882 12.0605 14.027 9.34636 12.2287 15.0038 8.95269 5.63485 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 6.74214 6.3873 9.31417 5.33462 4.85921 5.56719 7.98022 6.62361 5.72887 5.96552 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 5.33462 6.3873 5.56719 6.74214 4.85921 9.31417 7.98022 5.96552 5.72887 6.62361 numMergedOcc 0
36 mol 249 unq 0 iso 0 dist 6.18866 12.5843 7.29898 9.3807 5.2966 8.91685 12.4678 6.6173 7.57994 5.25611 numMergedOcc 0
37 mol 249 unq 1 iso 0 dist 6.18866 12.5843 7.29898 9.3807 5.2966 8.91685 15.0782 8.95486 6.18582 9.66184 numMergedOcc 0
38 mol 249 unq 2 iso 0 dist 9.3807 12.5843 8.91685 6.18866 5.2966 7.29898 12.4678 5.25611 7.57994 6.6173 numMergedOcc 0
39 mol 249 unq 3 iso 0 dist 9.3807 12.5843 8.91685 6.18866 5.2966 7.29898 15.0782 9.66184 6.18582 8.95486 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 9.07452 6.11218 7.80446 7.21004 10.3541 9.91395 6.21831 6.57235 9.10818 4.97216 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 7.21004 6.11218 9.91395 9.07452 10.3541 7.80446 6.21831 4.97216 9.10818 6.57235 numMergedOcc 0
42 mol 274 unq 2 iso 0 dist 6.44266 6.98398 7.80446 8.75703 10.3541 9.91395 8.3291 6.57235 9.10818 4.97216 numMergedOcc 0
43 mol 274 unq 3 iso 0 dist 8.75703 6.98398 9.91395 6.44266 10.3541 7.80446 8.3291 4.97216 9.10818 6.57235 numMergedOcc 0
44 mol 282 unq 0 iso 0 dist 7.93511 9.67023 5.67266 13.5529 6.38894 5.80981 14.1723 9.63727 8.04483 9.60898 numMergedOcc 0
45 mol 282 unq 1 iso 0 dist 7.93511 9.67023 5.67266 13.5529 6.38894 5.80981 6.84554 4.58403 8.76532 10.5698 numMergedOcc 0
46 mol 282 unq 2 iso 0 dist 7.93511 9.67023 5.67266 13.5529 6.38894 5.80981 9.51581 5.04235 6.33524 8.37652 numMergedOcc 0
47 mol 282 unq 3 iso 0 dist 7.93511 9.67023 5.67266 15.4388 12.9312 9.63346 14.1723 9.63727 8.04483 4.85461 numMergedOcc 0
48 mol 282 unq 4 iso 0 dist 7.93511 9.67023 5.67266 15.4388 12.9312 9.63346 6.84554 4.58403 8.76532 13.108 numMergedOcc 0
49 mol 282 unq 5 iso 0 dist 7.93511 9.67023 5.67266 15.4388 12.9312 9.63346 9.51581 5.04235 6.33524 8.85797 numMergedOcc 0
50 mol 282 unq 6 iso 0 dist 5.62497 8.13794 9.63346 13.2763 12.9312 5.67266 8.58671 4.85461 8.04483 9.63727 numMergedOcc 0
51 mol 282 unq 7 iso 0 dist 5.62497 8.13794 9.63346 13.2763 12.9312 5.67266 14.7737 13.108 8.76532 4.58403 numMergedOcc 0
52 mol 282 unq 8 iso 0 dist 5.62497 8.13794 9.63346 13.2763 12.9312 5.67266 11.0247 8.85797 6.33524 5.04235 numMergedOcc 0
53 mol 282 unq 9 iso 0 dist 5.62497 8.13794 9.63346 12.2558 12.8857 5.80981 8.58671 4.85461 8.04483 9.60898 numMergedOcc 0
54 mol 282 unq 10 iso 0 dist 5.62497 8.13794 9.63346 12.2558 12.8857 5.80981 14.7737 13.108 8.76532 10.5698 numMergedOcc 0
55 mol 282 unq 11 iso 0 dist 5.62497 8.13794 9.63346 12.2558 12.8857 5.80981 11.0247 8.85797 6.33524 8.37652 numMergedOcc 0
