0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 10.4149 6.75943 5.41726 14.9909 8.13395 8.80331 6.6263 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.15486 4.98107 9.4099 7.43516 9.08221 8.55984 8.52969 10.6169 9.55426 15.6595 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 4.57682 9.36001 5.31547 13.6801 13.1316 9.33898 10.9241 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 10.9005 7.82475 5.9143 13.6601 8.8807 6.65086 11.9928 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.9005 7.82475 5.9143 17.6466 12.6515 6.56369 10.694 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 10.9005 7.82475 5.9143 18.8484 13.887 9.30209 14.966 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 9.06539 5.35782 5.47563 13.6601 8.8807 6.65086 9.94341 numMergedOcc 0
7 mol 100 unq 4 iso 0 dist 5.09688 12.2879 7.47343 9.06539 5.35782 5.47563 17.6466 12.6515 6.56369 9.82522 numMergedOcc 0
8 mol 100 unq 5 iso 0 dist 5.09688 12.2879 7.47343 9.06539 5.35782 5.47563 18.8484 13.887 9.30209 13.4844 numMergedOcc 0
9 mol 100 unq 6 iso 0 dist 9.26343 16.4386 7.47343 16.0043 7.82475 5.9143 16.1978 8.8807 6.65086 11.9928 numMergedOcc 0
10 mol 100 unq 7 iso 0 dist 9.26343 16.4386 7.47343 16.0043 7.82475 5.9143 21.6939 12.6515 6.56369 10.694 numMergedOcc 0
11 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 16.0043 7.82475 5.9143 21.5791 13.887 9.30209 14.966 numMergedOcc 0
12 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 14.1132 5.35782 5.47563 16.1978 8.8807 6.65086 9.94341 numMergedOcc 0
13 mol 100 unq 10 iso 0 dist 9.26343 16.4386 7.47343 14.1132 5.35782 5.47563 21.6939 12.6515 6.56369 9.82522 numMergedOcc 0
14 mol 100 unq 11 iso 0 dist 9.26343 16.4386 7.47343 14.1132 5.35782 5.47563 21.5791 13.887 9.30209 13.4844 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 5.63489 6.10127 10.5783 13.8525 7.22206 7.83136 11.6387 numMergedOcc 0
16 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 5.63489 6.10127 10.5783 15.4634 9.3584 7.0603 14.762 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 5.22333 5.58833 9.00231 16.3001 9.05135 9.61051 14.5521 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 4.67452 9.27976 3.98662 9.69757 5.55373 7.12972 10.0551 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 6.38977 6.82985 8.40312 4.67452 9.27976 3.98662 12.5659 10.7062 6.85062 10.7579 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 5.23156 7.06025 6.42973 10.064 5.34677 6.43573 10.0638 numMergedOcc 0
21 mol 178 unq 1 iso 0 dist 6.01118 9.73148 6.69288 5.23156 7.06025 6.42973 16.3874 11.7381 7.17202 13.2692 numMergedOcc 0
22 mol 178 unq 2 iso 0 dist 6.01118 9.73148 6.69288 5.23156 7.06025 6.42973 18.2053 14.0703 8.81551 15.0672 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 5.85969 5.56538 6.84862 11.6406 13.3522 8.01589 14.4477 numMergedOcc 0
24 mol 222 unq 1 iso 0 dist 7.14277 4.02914 7.21333 5.85969 5.56538 6.84862 9.43484 5.24516 7.7699 10.0233 numMergedOcc 0
25 mol 222 unq 2 iso 0 dist 7.14277 4.02914 7.21333 9.34147 7.48954 9.53117 11.6406 13.3522 8.01589 16.3082 numMergedOcc 0
26 mol 222 unq 3 iso 0 dist 7.14277 4.02914 7.21333 9.34147 7.48954 9.53117 9.43484 5.24516 7.7699 11.839 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 9.41512 9.46361 12.2293 16.2468 10.582 8.53687 18.7675 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 9.41512 9.46361 11.6988 9.34738 4.86771 7.84554 12.8903 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 6.49599 13.8605 7.88519 9.41512 9.46361 11.6988 9.47382 6.96053 7.46176 6.95511 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 6.49599 13.8605 7.88519 9.41512 9.46361 11.6988 14.8529 10.4881 9.18903 17.104 numMergedOcc 0
31 mol 259 unq 4 iso 0 dist 9.47382 13.8605 7.46176 11.8307 5.85442 10.067 6.49599 6.96053 7.88519 10.3406 numMergedOcc 0
32 mol 259 unq 5 iso 0 dist 9.47382 13.8605 7.46176 11.8307 5.85442 10.067 9.34738 7.64658 7.84554 12.8546 numMergedOcc 0
33 mol 259 unq 6 iso 0 dist 9.47382 13.8605 7.46176 11.8307 5.85442 10.067 14.8529 10.5239 9.18903 16.0301 numMergedOcc 0
34 mol 259 unq 7 iso 0 dist 9.47382 13.8605 7.46176 9.41512 6.95511 11.6988 6.49599 6.96053 7.88519 9.46361 numMergedOcc 0
35 mol 259 unq 8 iso 0 dist 9.47382 13.8605 7.46176 9.41512 6.95511 11.6988 9.34738 7.64658 7.84554 12.8903 numMergedOcc 0
36 mol 259 unq 9 iso 0 dist 9.47382 13.8605 7.46176 9.41512 6.95511 11.6988 14.8529 10.5239 9.18903 17.104 numMergedOcc 0
