0 mol 12 unq 0 iso 0 dist 8.37562 5.0983 6.96422 10.0269 5.4274 5.76024 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.37562 5.0983 6.96422 12.1015 8.06296 7.92714 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 8.37562 5.0983 6.96422 10.122 6.65972 8.47217 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 9.34916 11.5409 6.93185 17.2397 8.23299 8.60289 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.03539 10.4631 7.22361 13.689 7.52321 7.35861 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.50339 4.77336 7.22361 11.2961 7.52321 7.35861 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 6.76514 5.31805 4.62858 6.67704 5.52033 8.5315 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 8.41365 5.01159 6.30987 13.2094 6.85072 9.17082 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.22513 4.80291 7.03226 12.2952 9.24521 8.95905 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 8.90311 14.3305 6.51395 11.884 4.41568 8.42878 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 9.88812 7.11876 6.49383 13.4699 4.94926 8.38606 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.10681 6.69013 4.25566 15.5942 7.64948 9.83945 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.10681 12.7134 7.31037 15.5942 7.64948 6.75376 numMergedOcc 0
13 mol 141 unq 2 iso 0 dist 4.69823 6.69013 6.63171 15.5942 14.2837 9.83945 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 9.22228 10.5549 7.30946 15.6764 8.79853 8.21184 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 9.22228 10.5549 7.30946 11.2793 5.69209 5.41575 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 9.40225 5.02458 5.81122 10.6749 5.05683 8.37434 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 7.49255 3.98813 5.81122 11.52 5.05683 8.37434 numMergedOcc 0
18 mol 156 unq 4 iso 0 dist 4.94012 6.29145 5.81122 9.82618 5.05683 8.37434 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.30874 6.56225 9.06217 11.3392 10.6325 7.32087 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.30874 6.56225 9.06217 13.656 8.15174 8.86197 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 5.54873 6.56225 7.13252 11.3392 8.45963 7.32087 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 5.54873 6.56225 7.13252 13.656 11.047 8.86197 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 9.7281 12.6646 8.9289 18.9183 15.9559 7.22883 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 8.52642 9.7127 7.60625 6.28889 4.17434 9.40801 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 6.37335 7.46856 7.17337 6.71099 5.12599 9.78181 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 6.37335 7.46856 7.17337 12.8476 16.1253 9.8664 numMergedOcc 0
27 mol 232 unq 2 iso 0 dist 8.66693 5.53537 7.17337 13.0159 5.12599 9.78181 numMergedOcc 0
28 mol 232 unq 3 iso 0 dist 8.66693 5.53537 7.17337 14.2213 16.1253 9.8664 numMergedOcc 0
29 mol 232 unq 4 iso 0 dist 8.94854 13.3182 7.10413 12.0997 10.9886 9.78181 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 7.90344 6.32646 6.62002 8.52162 4.38002 5.92374 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 9.83326 10.3525 6.73446 13.2897 11.5793 5.92374 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 6.19514 9.75263 6.73446 12.1661 11.5793 5.92374 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 8.6173 4.47263 6.61376 5.24993 6.76453 7.34931 numMergedOcc 0
