0 mol 24 unq 0 iso 0 dist 8.10063 8.13365 6.88453 6.77987 6.75063 10.2876 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.5483 8.99509 12.3867 7.86479 6.74098 11.2061 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.5483 8.47617 12.0037 7.86479 6.74098 8.6477 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 5.5483 5.73331 6.9067 7.86479 6.74098 6.33831 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 5.5483 8.48694 5.46892 7.86479 6.74098 4.46233 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.78105 7.79726 5.92843 8.52697 7.19348 5.09159 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 7.78105 7.79726 5.92843 9.66612 5.25684 3.73197 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.01351 8.00525 14.4094 6.64714 5.09341 12.6799 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.98201 8.00525 8.5404 6.64714 12.2247 12.6799 numMergedOcc 0
9 mol 91 unq 2 iso 0 dist 6.4026 8.00525 8.24532 6.64714 7.1967 12.6799 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.18095 8.27456 14.3471 8.0675 11.4151 3.94537 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.49761 7.55822 6.57937 5.93365 8.82571 3.87365 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 9.26609 9.60425 7.70234 5.20001 9.72458 6.57678 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.13344 8.94909 6.25005 7.33743 15.4631 15.0115 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 6.70014 8.53451 15.2269 6.76896 7.42348 12.6805 numMergedOcc 0
15 mol 146 unq 1 iso 0 dist 6.70014 7.24965 12.8565 6.76896 7.42348 8.33152 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 9.66109 6.32876 7.93804 7.96394 13.7829 6.18464 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 9.66109 6.32876 7.93804 8.01381 6.38671 7.03671 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 9.66109 9.25604 13.5879 7.96394 13.7829 14.3561 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 9.66109 9.25604 13.5879 8.01381 6.38671 9.53971 numMergedOcc 0
20 mol 158 unq 0 iso 0 dist 9.94593 9.03632 6.21075 6.68721 16.3211 13.7172 numMergedOcc 0
21 mol 158 unq 1 iso 0 dist 9.49329 9.03632 13.5328 6.68721 4.87865 13.7172 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 8.73423 9.66975 14.7256 8.73525 5.9546 11.3125 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 8.02005 4.89168 6.64693 9.49016 11.8086 5.71505 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 8.02005 4.89168 6.64693 8.92798 7.33221 4.81639 numMergedOcc 0
