0 mol 19 unq 0 iso 0 dist 8.41365 13.4414 6.92532 10.1168 6.39966 4.97119 19.8554 12.3486 7.20519 10.741 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 10.1168 6.39966 4.97119 13.1233 5.18512 4.54938 6.41575 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.41365 13.4414 6.92532 10.1168 6.39966 4.97119 15.2251 9.47529 6.864 6.41423 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 8.41365 10.5285 6.36455 10.1168 6.39966 6.01808 13.1233 5.18512 7.82074 6.41575 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 12.1924 9.69752 4.32034 10.6042 6.00575 6.86014 7.33768 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 5.78238 9.59761 6.60423 12.1924 9.69752 4.32034 9.90845 5.97304 8.86116 12.9284 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.78238 9.59761 6.60423 14.9821 9.36461 8.52463 10.6042 6.00575 6.86014 7.29868 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 5.78238 9.59761 6.60423 14.9821 9.36461 8.52463 9.90845 5.97304 8.86116 8.60554 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 8.8359 9.07346 9.46588 4.43093 5.94233 6.0268 9.06961 5.5703 6.06638 6.30546 numMergedOcc 0
9 mol 126 unq 1 iso 0 dist 8.8359 9.07346 9.46588 10.6362 8.56219 8.01268 9.06961 5.5703 6.06638 10.0699 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.5344 8.25445 8.86329 11.4585 8.92828 10.3369 11.439 5.89022 8.40312 11.8327 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 7.5344 8.25445 8.86329 6.14427 5.56627 7.7567 11.439 5.89022 8.40312 9.90168 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 7.5344 11.8349 8.71039 11.4585 8.92828 7.92788 11.439 5.89022 7.12972 11.8327 numMergedOcc 0
13 mol 131 unq 3 iso 0 dist 7.5344 11.8349 8.71039 6.14427 5.56627 8.23791 11.439 5.89022 7.12972 9.90168 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.86912 7.46358 5.38091 10.2977 7.46845 5.81563 14.041 10.7023 8.34702 13.0658 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 8.86912 7.46358 5.38091 10.2977 7.46845 5.81563 15.9053 9.00862 9.06726 11.5017 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 8.86912 7.46358 5.38091 10.2977 7.46845 5.81563 15.6718 11.1271 8.33171 10.0063 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 5.32236 5.96451 8.0154 5.86269 8.05247 6.29885 9.00898 4.24624 9.29945 10.7017 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 5.32236 5.96451 8.0154 10.5222 9.71028 7.27408 9.00898 4.24624 9.29945 9.39352 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.05979 8.86145 8.64409 13.7214 7.46987 11.6919 12.6312 9.97575 9.09754 16.2017 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 5.77968 5.5682 8.47347 6.00221 5.73306 6.43967 6.02561 4.46081 9.96154 9.38004 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 6.50846 4.90657 5.45036 4.39102 5.37796 7.11498 9.8711 6.17628 9.23153 6.59716 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 6.50846 4.90657 5.45036 4.39102 5.37796 7.11498 12.6756 10.4136 8.24498 13.1498 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.84358 5.24186 5.87815 6.80901 7.95359 6.67321 12.2802 10.6244 7.55216 13.0798 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 8.02209 6.87235 6.41286 10.4085 8.34416 6.33877 11.1105 6.20661 6.7547 10.9672 numMergedOcc 0
25 mol 230 unq 1 iso 0 dist 8.02209 6.87235 6.41286 5.50843 6.34832 5.0515 11.1105 6.20661 6.7547 10.3657 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 6.29118 4.90814 7.83711 5.39184 6.57921 4.9377 11.2186 8.25884 8.27212 9.40808 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 7.21518 6.42363 6.77954 5.81577 7.97135 4.30004 7.66519 6.71566 9.56569 7.16525 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.88874 5.26867 6.86945 5.53685 7.39391 6.35641 9.73021 5.25252 7.19638 11.0831 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 5.22824 8.61563 7.39176 10.5279 6.04016 9.14619 10.7876 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 9.62681 15.7058 8.60026 5.22824 8.61563 12.8544 10.5279 6.04016 8.45658 10.7876 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 7.70017 9.18635 10.2227 11.3184 4.86504 9.97651 12.0724 numMergedOcc 0
32 mol 272 unq 1 iso 0 dist 6.49719 11.2831 8.46061 7.70017 9.18635 6.32008 14.5221 8.7909 8.33638 13.0773 numMergedOcc 0
33 mol 272 unq 2 iso 0 dist 6.49719 11.2831 8.46061 7.70017 9.18635 6.32008 11.3184 4.86504 8.46116 12.0724 numMergedOcc 0
34 mol 272 unq 3 iso 0 dist 5.7564 11.082 9.64269 4.49628 9.18635 10.2227 9.1118 4.86504 9.97651 12.0724 numMergedOcc 0
35 mol 272 unq 4 iso 0 dist 5.7564 6.72149 8.46061 4.49628 9.18635 6.32008 10.342 8.7909 8.33638 13.0773 numMergedOcc 0
36 mol 272 unq 5 iso 0 dist 5.7564 6.72149 8.46061 4.49628 9.18635 6.32008 9.1118 4.86504 8.46116 12.0724 numMergedOcc 0
