0 mol 68 unq 0 iso 0 dist 5.73908 3.89794 8.18002 10.6719 8.52421 10.5767 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 5.73908 9.05937 7.07032 10.6719 8.52421 5.64912 numMergedOcc 0
2 mol 68 unq 2 iso 0 dist 6.77421 3.89794 9.01261 6.56256 9.90923 7.39155 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 8.39608 6.82169 6.59302 10.3685 7.50921 4.36469 numMergedOcc 0
4 mol 71 unq 1 iso 0 dist 8.39608 13.8437 9.93626 10.3685 7.50921 7.62008 numMergedOcc 0
5 mol 71 unq 2 iso 0 dist 7.28815 10.5616 6.59302 9.85206 7.50921 4.36469 numMergedOcc 0
6 mol 71 unq 3 iso 0 dist 7.28815 6.46657 9.93626 9.85206 7.50921 7.62008 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 7.67429 4.6158 9.66069 6.67053 8.33185 10.1712 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 6.20851 9.38497 7.13078 9.12839 9.67711 11.7688 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.31333 9.58526 5.80433 9.03587 5.27578 8.96928 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 5.31333 11.0885 6.8285 9.03587 5.27578 6.66771 numMergedOcc 0
11 mol 187 unq 0 iso 0 dist 5.82577 9.55801 6.56642 5.93957 5.7938 4.36904 numMergedOcc 0
12 mol 187 unq 1 iso 0 dist 5.82577 5.94354 7.9625 5.93957 5.7938 9.20573 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 8.40718 7.96412 9.01377 12.5259 5.81438 9.00714 numMergedOcc 0
14 mol 215 unq 0 iso 0 dist 5.92204 6.66087 7.60635 3.522 8.28951 6.71928 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 8.72578 6.00114 5.60554 3.59923 6.58871 6.59014 numMergedOcc 0
16 mol 217 unq 1 iso 0 dist 8.80103 9.52898 7.89936 14.0701 8.98494 10.9498 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 7.26376 6.16486 9.38761 8.72864 8.3704 8.80389 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.55805 10.8658 9.13234 5.06821 8.63649 6.38339 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 7.54614 4.91346 7.45381 10.2945 8.31266 11.6435 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.29888 8.59287 6.40309 6.25665 6.5311 3.97496 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.29888 8.59287 6.40309 16.4705 9.67281 9.75095 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 9.29888 11.9391 7.87164 6.25665 6.5311 5.70463 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 9.29888 11.9391 7.87164 16.4705 9.67281 11.7938 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 8.99368 4.38445 6.45422 8.19502 9.52528 10.3708 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 9.33791 6.11645 5.45375 3.79641 8.62843 7.54682 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 9.33791 5.7716 9.9145 3.79641 8.62843 5.72821 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 7.38085 6.75411 6.52635 3.7218 5.38409 6.15056 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 9.80002 14.2814 6.59786 10.6534 8.66133 8.0478 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 9.80002 14.2814 6.59786 15.8245 6.95569 10.0013 numMergedOcc 0
30 mol 273 unq 2 iso 0 dist 9.80002 17.5382 7.96519 10.6534 8.66133 14.4172 numMergedOcc 0
31 mol 273 unq 3 iso 0 dist 9.80002 17.5382 7.96519 15.8245 6.95569 4.42663 numMergedOcc 0
32 mol 273 unq 4 iso 0 dist 6.73794 9.11005 6.59786 3.80794 8.66133 8.0478 numMergedOcc 0
33 mol 273 unq 5 iso 0 dist 6.73794 9.11005 6.59786 13.255 6.95569 10.0013 numMergedOcc 0
34 mol 273 unq 6 iso 0 dist 6.73794 13.7838 7.96519 3.80794 8.66133 14.4172 numMergedOcc 0
35 mol 273 unq 7 iso 0 dist 6.73794 13.7838 7.96519 13.255 6.95569 4.42663 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 5.76796 5.49583 7.61398 9.11313 5.49829 8.8752 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 5.76796 5.49583 7.61398 6.01574 6.24134 10.6055 numMergedOcc 0
