0 mol 24 unq 0 iso 0 dist 8.86116 6.60423 5.97304 6.58998 6.72502 9.38831 4.32034 12.9284 9.69752 10.025 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 6.58998 6.72502 9.38831 8.52463 8.60554 9.36461 6.99746 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 10.6756 5.69955 16.849 10.9837 18.1487 9.5053 21.5874 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 6.82174 7.33422 10.6458 11.165 12.0078 8.70863 16.6297 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 7.91778 7.33422 10.6458 9.29301 12.0078 8.70863 16.6297 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.60462 8.729 11.0629 17.3924 9.92283 15.3575 5.39346 10.1861 9.77017 15.0784 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 9.60462 8.729 11.0629 3.98564 7.23962 10.7583 5.39346 10.1861 9.77017 7.60016 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 7.45389 8.729 5.48848 3.98564 7.30204 10.7583 5.39346 10.15 9.77017 7.60016 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.88312 5.74857 7.21418 7.3094 5.72642 8.71286 5.22052 12.13 8.85881 9.18958 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 4.91132 8.56342 8.03035 7.20179 6.52773 8.8562 6.96805 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 4.91132 8.56342 8.03035 9.89358 9.23858 7.91683 13.3975 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 8.73993 7.77116 3.78311 6.08167 6.37542 7.6968 7.20179 6.52773 8.8562 4.86811 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 8.73993 7.77116 3.78311 6.08167 6.37542 7.6968 9.89358 9.23858 7.91683 8.00229 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 8.34702 5.38091 10.7023 6.44255 9.43259 5.90883 5.81563 13.0658 7.46845 11.3995 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 8.34702 5.38091 10.7023 5.82636 6.2319 8.06913 5.81563 13.0658 7.46845 11.6326 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 9.06726 5.38091 9.00862 5.82636 9.97732 8.06913 5.81563 11.5017 7.46845 11.6326 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 4.24624 8.0154 11.3531 11.8693 17.6416 5.89564 16.0477 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 9.29945 7.35824 12.5754 4.24624 8.0154 11.3531 6.77832 12.6314 5.60528 10.4154 numMergedOcc 0
18 mol 175 unq 2 iso 0 dist 9.29945 9.17364 10.0424 4.24624 8.0154 11.7939 6.77832 12.6314 5.5995 10.4154 numMergedOcc 0
19 mol 175 unq 3 iso 0 dist 9.29945 8.0154 4.24624 12.3408 5.4969 7.32419 6.29885 10.7017 8.05247 11.2348 numMergedOcc 0
20 mol 175 unq 4 iso 0 dist 9.29945 8.0154 4.24624 12.3408 5.4969 7.32419 7.27408 9.39352 9.71028 8.94702 numMergedOcc 0
21 mol 175 unq 5 iso 0 dist 9.29945 8.0154 4.24624 8.68081 6.4318 8.31961 6.29885 10.7017 8.05247 9.23758 numMergedOcc 0
22 mol 175 unq 6 iso 0 dist 9.29945 8.0154 4.24624 8.68081 6.4318 8.31961 7.27408 9.39352 9.71028 4.06277 numMergedOcc 0
23 mol 175 unq 7 iso 0 dist 9.29945 8.0154 4.24624 12.5754 7.35824 11.3531 6.29885 10.7017 8.05247 15.2833 numMergedOcc 0
24 mol 175 unq 8 iso 0 dist 9.29945 8.0154 4.24624 12.5754 7.35824 11.3531 7.27408 9.39352 9.71028 10.3786 numMergedOcc 0
25 mol 175 unq 9 iso 0 dist 9.29945 8.0154 4.24624 10.0424 9.17364 11.7939 6.29885 10.7017 8.05247 15.2549 numMergedOcc 0
26 mol 175 unq 10 iso 0 dist 9.29945 8.0154 4.24624 10.0424 9.17364 11.7939 7.27408 9.39352 9.71028 11.9672 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 4.37002 6.85302 7.55358 11.6919 16.2017 7.46987 13.1254 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 4.64235 9.98215 7.60991 11.6919 16.2017 7.46987 8.74186 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 7.75466 9.07471 9.08955 7.92402 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 12.1951 9.8062 8.88664 12.9712 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 6.03524 8.48341 12.5422 11.6161 10.6381 7.16819 13.9145 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 7.55216 5.87815 10.6244 9.69537 8.03442 15.0736 6.67321 13.0798 7.95359 14.9569 numMergedOcc 0
33 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.63376 7.50201 8.55481 6.35641 11.0831 7.39391 12.0545 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 6.6525 9.53063 6.47194 10.8558 15.8417 9.91199 8.09074 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 5.27959 9.53063 6.47194 13.2927 15.8417 9.91199 8.09074 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 9.97651 9.64269 4.86504 10.26 9.19033 12.7305 10.2227 12.0724 9.18635 18.2203 numMergedOcc 0
37 mol 272 unq 1 iso 0 dist 8.46116 8.46061 4.86504 13.5034 9.19033 12.7305 6.32008 12.0724 9.18635 18.2203 numMergedOcc 0
