0 mol 24 unq 0 iso 0 dist 9.03541 13.0288 9.98592 14.3235 8.69288 5.32861 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.03541 13.0288 9.98592 10.5945 7.77964 3.84336 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 7.71617 4.40181 9.41017 4.98274 5.09702 8.16431 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.3711 9.64988 8.77077 12.2676 9.08825 5.44918 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 9.11206 15.02 7.77089 5.01159 9.17843 13.4342 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.58666 11.8321 8.06134 14.9788 6.96745 10.3457 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 9.58666 12.465 5.36587 14.9788 6.96745 3.99855 numMergedOcc 0
7 mol 112 unq 2 iso 0 dist 6.88696 4.6963 9.26353 5.96497 7.31064 5.08111 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 5.44814 6.48478 5.06564 12.4579 9.29944 10.0079 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 5.44814 7.09076 7.5373 12.4579 9.29944 9.05366 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 7.76112 4.55978 8.33407 5.09521 7.01095 4.8427 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 8.95292 11.6623 6.47164 13.0899 8.75024 5.04147 numMergedOcc 0
12 mol 170 unq 1 iso 0 dist 8.95292 10.9608 9.65126 13.0899 8.75024 10.518 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.7734 8.69697 6.56416 5.21837 5.67168 3.87169 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 7.7734 8.69697 6.56416 5.52154 7.74579 5.97542 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 7.7734 8.69697 6.56416 7.51045 5.86483 5.65634 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 5.08438 8.94335 9.24936 4.65091 6.396 5.66395 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 5.07975 10.2815 8.43195 6.84149 8.14294 6.67077 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 4.85015 10.2815 8.23406 6.84149 5.72 6.67077 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 9.0735 5.32064 9.82043 7.30721 9.3502 3.94409 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 9.0735 5.32064 9.82043 5.22792 9.34821 8.31193 numMergedOcc 0
21 mol 225 unq 2 iso 0 dist 9.0735 5.32064 9.82043 10.0058 6.46405 7.96454 numMergedOcc 0
22 mol 225 unq 3 iso 0 dist 9.0735 6.76978 8.22922 7.30721 9.3502 6.88465 numMergedOcc 0
23 mol 225 unq 4 iso 0 dist 9.0735 6.76978 8.22922 5.22792 9.34821 6.8122 numMergedOcc 0
24 mol 225 unq 5 iso 0 dist 9.0735 6.76978 8.22922 10.0058 6.46405 4.45116 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 8.31344 13.3219 8.97952 13.0354 6.03081 10.6687 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 8.31344 13.3219 8.97952 10.4953 7.41433 10.6919 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 5.63226 6.30473 5.61969 5.35498 9.02537 10.5462 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 5.63226 8.96178 9.0277 5.35498 9.02537 11.5353 numMergedOcc 0
