0 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 5.78238 5.97304 6.60423 12.1924 12.9284 4.32034 9.69752 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 5.78238 5.97304 6.60423 14.9821 8.60554 8.52463 9.36461 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 10.5067 15.7304 7.04044 11.2253 13.8696 5.11416 6.48232 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 14.8476 15.7304 7.04044 14.5478 13.8696 5.11416 6.48232 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 13.0088 8.26458 7.04044 11.5412 9.24757 5.11416 6.48232 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 13.0088 8.26458 8.73253 11.5412 9.24757 6.56633 6.48232 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.26679 8.31041 9.96396 10.5067 8.26458 7.04044 11.2253 9.24757 5.11416 6.48232 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.26679 5.44275 6.19304 10.5067 8.26458 8.73253 11.2253 9.24757 6.56633 6.48232 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 9.30776 8.31041 9.75218 10.5067 8.35241 7.04044 11.2253 13.0145 5.11416 6.48232 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 10.1832 3.78311 7.77116 13.1831 6.52773 7.20179 8.8562 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 10.1832 3.78311 7.77116 6.34278 9.23858 9.89358 7.91683 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 8.8359 5.5703 9.46588 4.43093 6.30546 6.0268 5.94233 numMergedOcc 0
12 mol 126 unq 1 iso 0 dist 9.06961 9.07346 6.06638 8.8359 5.5703 9.46588 10.6362 10.0699 8.01268 8.56219 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 5.32236 4.24624 8.0154 5.86269 10.7017 6.29885 8.05247 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 9.00898 5.96451 9.29945 5.32236 4.24624 8.0154 10.5222 9.39352 7.27408 9.71028 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 6.02561 5.5682 9.96154 5.77968 4.46081 8.47347 6.00221 9.38004 6.43967 5.73306 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.8711 4.90657 9.23153 6.50846 6.17628 5.45036 4.39102 6.59716 7.11498 5.37796 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 15.9714 9.07471 7.75466 9.08955 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 18.444 9.8062 12.1951 8.88664 numMergedOcc 0
19 mol 222 unq 2 iso 0 dist 8.7347 8.81265 6.00706 12.5498 6.42798 7.862 18.5653 10.6381 11.6161 7.16819 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.17826 11.4528 7.55216 14.5658 10.6244 5.87815 18.0436 13.0798 6.67321 7.95359 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 8.43766 7.07028 6.7547 10.3524 6.20661 6.41286 7.13822 10.9672 6.33877 8.34416 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 8.43766 7.07028 6.7547 10.3524 6.20661 6.41286 10.3005 10.3657 5.0515 6.34832 numMergedOcc 0
23 mol 248 unq 0 iso 0 dist 7.66519 6.42363 9.56569 7.21518 6.71566 6.77954 5.81577 7.16525 4.30004 7.97135 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 9.73021 5.26867 7.19638 6.88874 5.25252 6.86945 5.53685 11.0831 6.35641 7.39391 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.58088 10.221 6.60405 14.7484 7.42673 6.70815 20.0534 15.8417 10.8558 9.91199 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.58088 9.22664 6.42289 14.7484 7.42673 7.99477 20.0534 15.8417 13.2927 9.91199 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 5.7564 4.86504 9.64269 4.49628 12.0724 10.2227 9.18635 numMergedOcc 0
28 mol 272 unq 1 iso 0 dist 9.1118 6.72149 8.46116 5.7564 4.86504 8.46061 4.49628 12.0724 6.32008 9.18635 numMergedOcc 0
29 mol 272 unq 2 iso 0 dist 6.94346 9.58279 8.33638 14.5853 8.7909 8.46061 14.9907 13.0773 6.32008 9.18635 numMergedOcc 0
