0 mol 8 unq 0 iso 0 dist 5.89089 9.78638 6.94408 8.10061 6.56356 11.865 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.16274 9.55181 6.8318 5.46344 8.85174 13.9764 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 9.55181 6.16274 6.8318 7.16107 8.111 8.82129 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.32791 6.04965 9.99279 11.1182 7.65889 16.4215 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.50987 9.27448 9.85159 9.55844 7.99919 15.516 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.50987 9.07927 4.51512 9.55844 7.99919 11.0249 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.96797 9.73896 5.24762 4.4519 9.33906 11.5679 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.48388 9.58693 17.7405 4.54306 7.78931 11.2061 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.48388 9.58693 17.7405 10.9661 8.7497 17.0518 numMergedOcc 0
9 mol 197 unq 0 iso 0 dist 7.18765 7.41091 5.43601 4.26432 9.10817 6.86828 numMergedOcc 0
10 mol 197 unq 1 iso 0 dist 7.18765 7.41091 5.43601 14.0652 9.73548 15.043 numMergedOcc 0
11 mol 197 unq 2 iso 0 dist 7.41091 7.18765 5.43601 4.26432 6.86828 9.10817 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 9.30186 6.51997 15.3446 6.38826 8.1945 12.0438 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 9.68636 7.81415 6.84129 9.76444 7.27993 11.9869 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 7.17987 8.58958 5.88703 12.4759 7.81215 11.6391 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 6.67907 6.0087 7.43758 7.15922 8.23087 11.5798 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 9.13483 6.44188 5.74182 6.16483 6.34915 7.81897 numMergedOcc 0
17 mol 257 unq 1 iso 0 dist 6.44188 9.13483 5.74182 6.16483 7.81897 6.34915 numMergedOcc 0
18 mol 257 unq 2 iso 0 dist 5.16581 5.13633 5.74182 5.48725 6.34915 7.81897 numMergedOcc 0
19 mol 257 unq 3 iso 0 dist 5.13633 5.16581 5.74182 5.48725 7.81897 6.34915 numMergedOcc 0
20 mol 257 unq 4 iso 0 dist 6.50405 8.99981 5.6276 9.94726 8.83833 14.3015 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.89728 8.70852 7.64658 13.7396 5.85442 12.8546 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 9.89728 8.70852 7.64658 15.7491 6.95511 12.8903 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 9.89728 6.42437 10.5239 13.7396 5.85442 16.0301 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 9.89728 6.42437 10.5239 15.7491 6.95511 17.104 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 8.43682 6.20796 4.92077 4.66338 9.19754 8.29262 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 6.20796 8.43682 4.92077 4.66338 8.29262 9.19754 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.23147 6.49176 7.08227 6.40883 5.46926 8.9682 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.23147 6.49176 7.08227 6.79352 5.13913 6.92711 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 6.49176 8.23147 7.08227 11.7592 9.35539 14.9313 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 6.49176 8.23147 7.08227 6.40883 8.9682 5.46926 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 6.49176 8.23147 7.08227 6.79352 6.92711 5.13913 numMergedOcc 0
32 mol 277 unq 5 iso 0 dist 5.22392 8.20217 7.69449 6.68571 9.57499 5.46926 numMergedOcc 0
33 mol 277 unq 6 iso 0 dist 8.20217 5.22392 7.69449 6.68571 5.46926 9.57499 numMergedOcc 0
34 mol 277 unq 7 iso 0 dist 8.20217 5.22392 7.69449 9.44642 5.13913 11.4389 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 6.02089 6.87804 11.8061 6.38012 9.90967 8.38121 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 6.02089 6.87804 11.8061 6.03672 9.9886 10.9396 numMergedOcc 0
37 mol 292 unq 2 iso 0 dist 6.87804 6.02089 11.8061 4.77692 7.20674 10.1532 numMergedOcc 0
38 mol 292 unq 3 iso 0 dist 6.87804 6.02089 11.8061 6.38012 8.38121 9.90967 numMergedOcc 0
