0 mol 0 unq 0 iso 0 dist 8.24206 5.25456 7.37981 6.19218 9.98828 7.19621 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.19218 5.25456 7.19621 8.24206 9.98828 7.37981 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.19397 7.1599 7.19621 13.6664 9.98828 7.37981 numMergedOcc 0
3 mol 2 unq 0 iso 0 dist 9.08872 9.97525 9.58976 9.74371 6.23988 6.35342 numMergedOcc 0
4 mol 2 unq 1 iso 0 dist 9.74371 9.97525 6.35342 9.08872 6.23988 9.58976 numMergedOcc 0
5 mol 2 unq 2 iso 0 dist 7.37296 11.2776 9.58976 11.9277 6.23988 6.35342 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 8.30431 6.32949 9.62468 4.628 8.0979 5.92705 numMergedOcc 0
7 mol 61 unq 1 iso 0 dist 4.628 6.32949 5.92705 8.30431 8.0979 9.62468 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 9.27355 5.47475 7.26679 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.27355 10.8067 9.68526 8.60363 4.4628 9.72442 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 9.27355 10.5627 7.26679 5.39171 5.47475 6.89722 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.60363 10.8067 9.72442 9.27355 4.4628 9.68526 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 8.60363 16.3515 9.02288 12.4571 7.64038 9.58544 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 9.27331 10.163 9.72442 10.0291 4.4628 9.68526 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 9.27331 12.3394 9.02288 13.8777 7.64038 9.58544 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 5.61016 9.7552 7.88564 13.6718 10.2399 6.78459 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 7.11187 6.67262 6.78459 11.7021 10.2399 7.88564 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 6.60356 9.96864 6.78459 16.023 10.2399 7.88564 numMergedOcc 0
18 mol 108 unq 0 iso 0 dist 9.32474 5.60268 7.29462 8.80334 6.45014 5.4057 numMergedOcc 0
19 mol 108 unq 1 iso 0 dist 8.80334 5.60268 5.4057 9.32474 6.45014 7.29462 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 6.94435 6.34094 9.91643 13.8661 15.0214 7.83619 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 6.21546 5.73338 8.69888 6.03184 7.01839 5.08206 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 6.03184 5.73338 5.08206 6.21546 7.01839 8.69888 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 8.78709 9.49952 6.00053 15.5964 8.67658 7.44191 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 5.69763 11.4562 9.48439 10.0612 4.87816 7.32478 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 7.38622 5.55582 7.32478 8.82165 4.87816 9.48439 numMergedOcc 0
26 mol 194 unq 2 iso 0 dist 8.82165 5.55582 9.48439 7.38622 4.87816 7.32478 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 7.65323 7.20088 8.31638 12.322 13.4033 9.72979 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 8.63033 12.1408 9.72979 17.6979 13.4033 8.31638 numMergedOcc 0
29 mol 206 unq 2 iso 0 dist 8.63033 9.19627 6.97859 14.4518 6.09091 9.38127 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.47122 15.4433 9.75313 18.5793 11.6002 6.08709 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 5.97988 6.70321 6.08709 15.7687 11.6002 9.75313 numMergedOcc 0
32 mol 224 unq 2 iso 0 dist 6.6537 4.55824 9.75313 9.08719 11.6002 6.08709 numMergedOcc 0
33 mol 224 unq 3 iso 0 dist 9.08719 4.55824 6.08709 6.6537 11.6002 9.75313 numMergedOcc 0
34 mol 224 unq 4 iso 0 dist 7.58998 6.87755 6.23882 11.9987 6.35724 6.56437 numMergedOcc 0
35 mol 224 unq 5 iso 0 dist 7.58998 6.87755 6.23882 15.2131 13.2305 9.53131 numMergedOcc 0
36 mol 224 unq 6 iso 0 dist 7.58998 6.87755 6.23882 12.0605 14.027 9.34636 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 6.74214 6.3873 9.31417 5.33462 4.85921 5.56719 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 5.33462 6.3873 5.56719 6.74214 4.85921 9.31417 numMergedOcc 0
39 mol 249 unq 0 iso 0 dist 6.18866 12.5843 7.29898 9.3807 5.2966 8.91685 numMergedOcc 0
40 mol 249 unq 1 iso 0 dist 9.3807 12.5843 8.91685 6.18866 5.2966 7.29898 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.07452 6.11218 7.80446 7.21004 10.3541 9.91395 numMergedOcc 0
42 mol 274 unq 1 iso 0 dist 9.07452 11.3921 9.86142 18.1637 12.757 7.79904 numMergedOcc 0
43 mol 274 unq 2 iso 0 dist 7.21004 6.11218 9.91395 9.07452 10.3541 7.80446 numMergedOcc 0
44 mol 274 unq 3 iso 0 dist 6.12202 5.7574 7.79904 12.988 12.757 9.86142 numMergedOcc 0
45 mol 274 unq 4 iso 0 dist 6.44266 6.98398 7.80446 8.75703 10.3541 9.91395 numMergedOcc 0
46 mol 274 unq 5 iso 0 dist 6.44266 6.99898 9.86142 10.6014 12.757 7.79904 numMergedOcc 0
47 mol 274 unq 6 iso 0 dist 8.75703 6.98398 9.91395 6.44266 10.3541 7.80446 numMergedOcc 0
48 mol 282 unq 0 iso 0 dist 7.93511 9.67023 5.67266 13.5529 6.38894 5.80981 numMergedOcc 0
49 mol 282 unq 1 iso 0 dist 7.93511 9.67023 5.67266 15.4388 12.9312 9.63346 numMergedOcc 0
50 mol 282 unq 2 iso 0 dist 5.62497 8.13794 9.63346 13.2763 12.9312 5.67266 numMergedOcc 0
51 mol 282 unq 3 iso 0 dist 5.62497 8.13794 9.63346 12.2558 12.8857 5.80981 numMergedOcc 0
