0 mol 18 unq 0 iso 0 dist 8.25905 4.84965 5.03976 7.43559 8.52106 5.02571 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.25905 4.84965 5.03976 10.1793 6.32451 6.78812 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.97065 7.62792 9.08976 7.89671 8.82012 13.1105 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 5.97065 7.62792 9.08976 10.1933 9.16962 4.76147 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.9443 7.16986 6.18729 5.82808 9.39469 4.73852 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.9443 7.16986 6.18729 10.2548 4.76815 4.58978 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.94447 8.94648 6.32393 12.7099 6.81812 10.8558 numMergedOcc 0
7 mol 213 unq 0 iso 0 dist 6.38872 11.0846 8.6925 7.17515 8.45368 5.69131 numMergedOcc 0
8 mol 213 unq 1 iso 0 dist 6.38872 11.0846 8.6925 7.18317 9.59129 16.447 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.83547 5.84294 5.02756 5.63642 7.82944 5.74363 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 6.31342 14.9322 8.94219 6.9955 5.50387 10.0712 numMergedOcc 0
11 mol 233 unq 0 iso 0 dist 5.34745 9.27865 7.40764 11.2101 9.43203 7.20791 numMergedOcc 0
12 mol 233 unq 1 iso 0 dist 7.99897 4.98124 7.40764 11.5105 9.43203 7.20791 numMergedOcc 0
13 mol 233 unq 2 iso 0 dist 8.98366 11.6509 7.40764 6.54297 9.43203 7.20791 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 7.54327 13.9126 6.553 5.28657 6.16063 12.2372 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 6.43838 12.4867 7.8126 5.06584 5.65339 10.8225 numMergedOcc 0
16 mol 235 unq 1 iso 0 dist 9.24964 6.17988 7.79898 6.70342 9.58736 11.3444 numMergedOcc 0
17 mol 235 unq 2 iso 0 dist 9.24964 6.17988 7.79898 6.38281 9.43058 5.04474 numMergedOcc 0
18 mol 235 unq 3 iso 0 dist 9.24964 6.17988 7.79898 10.6146 8.75735 5.84429 numMergedOcc 0
19 mol 235 unq 4 iso 0 dist 9.24964 6.17988 7.79898 14.8599 6.98084 11.1685 numMergedOcc 0
20 mol 235 unq 5 iso 0 dist 9.24964 6.17988 7.79898 16.2392 7.32211 13.5816 numMergedOcc 0
21 mol 235 unq 6 iso 0 dist 5.71896 6.14767 7.79898 6.01036 9.58736 11.3444 numMergedOcc 0
22 mol 235 unq 7 iso 0 dist 5.71896 6.14767 7.79898 4.99641 9.43058 5.04474 numMergedOcc 0
23 mol 235 unq 8 iso 0 dist 5.71896 6.14767 7.79898 7.72505 8.75735 5.84429 numMergedOcc 0
24 mol 235 unq 9 iso 0 dist 5.71896 6.14767 7.79898 12.2179 6.98084 11.1685 numMergedOcc 0
25 mol 235 unq 10 iso 0 dist 5.71896 6.14767 7.79898 11.7282 7.32211 13.5816 numMergedOcc 0
26 mol 235 unq 11 iso 0 dist 8.3229 8.91451 7.79898 17.1296 9.58736 11.3444 numMergedOcc 0
27 mol 235 unq 12 iso 0 dist 8.3229 8.91451 7.79898 12.86 9.43058 5.04474 numMergedOcc 0
28 mol 235 unq 13 iso 0 dist 8.3229 8.91451 7.79898 9.39763 8.75735 5.84429 numMergedOcc 0
29 mol 235 unq 14 iso 0 dist 8.3229 8.91451 7.79898 4.29928 6.98084 11.1685 numMergedOcc 0
30 mol 235 unq 15 iso 0 dist 8.3229 8.91451 7.79898 10.1212 7.32211 13.5816 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.07397 17.2113 9.13022 14.2669 7.67322 4.67735 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 8.91763 9.65346 9.13022 12.0885 7.67322 4.67735 numMergedOcc 0
33 mol 247 unq 0 iso 0 dist 6.34304 4.9935 9.06037 8.49616 6.6838 7.02325 numMergedOcc 0
34 mol 247 unq 1 iso 0 dist 6.34304 6.74468 8.09208 8.49616 6.6838 5.82669 numMergedOcc 0
35 mol 267 unq 0 iso 0 dist 6.87713 8.75405 7.08658 11.9598 8.76007 7.04458 numMergedOcc 0
36 mol 267 unq 1 iso 0 dist 6.87713 15.5091 9.18446 11.9598 8.76007 14.0558 numMergedOcc 0
37 mol 267 unq 2 iso 0 dist 6.87713 13.4773 6.60591 11.9598 8.76007 10.3309 numMergedOcc 0
38 mol 267 unq 3 iso 0 dist 8.87518 8.82415 7.08658 9.77423 8.76007 7.04458 numMergedOcc 0
39 mol 267 unq 4 iso 0 dist 8.87518 10.0094 9.18446 9.77423 8.76007 14.0558 numMergedOcc 0
40 mol 267 unq 5 iso 0 dist 8.87518 5.85823 6.60591 9.77423 8.76007 10.3309 numMergedOcc 0
