0 mol 69 unq 0 iso 0 dist 4.95459 7.21134 11.1059 6.00694 6.52387 10.2884 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.64736 7.10218 12.669 5.06443 6.16338 10.511 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 9.88541 8.00085 5.79394 13.7103 6.65318 12.3175 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 12.3335 5.7085 12.2908 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 7.35647 9.47287 10.5637 4.80863 9.73325 12.6212 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 5.08086 8.8639 5.75739 12.9102 8.21272 10.7156 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 5.08086 7.32009 5.46083 12.9102 8.21272 11.7878 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 8.76228 8.46046 11.3761 9.08794 9.70728 15.211 numMergedOcc 0
8 mol 173 unq 1 iso 0 dist 8.76228 7.48065 4.60149 9.08794 9.70728 12.0939 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 11.6286 8.28099 11.8137 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 6.19189 9.00537 4.03697 11.6286 8.28099 5.09756 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 8.34668 8.9388 4.03697 8.50695 8.28099 5.09756 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 12.3457 9.51913 10.8214 numMergedOcc 0
13 mol 217 unq 0 iso 0 dist 5.88992 9.41353 11.304 4.86229 9.07838 13.8417 numMergedOcc 0
14 mol 217 unq 1 iso 0 dist 5.88992 8.28155 9.98266 4.86229 9.07838 11.7415 numMergedOcc 0
15 mol 217 unq 2 iso 0 dist 5.19677 7.83824 4.17047 5.81604 9.07838 12.0038 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 5.74541 8.56943 10.2835 6.00606 8.88567 4.37501 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 8.31182 7.30349 10.0756 9.07546 6.99089 13.1286 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.71956 9.22453 6.64795 6.5109 9.76241 7.98589 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 6.71956 9.22453 6.64795 7.90123 9.17672 11.1959 numMergedOcc 0
