0 mol 43 unq 0 iso 0 dist 8.47617 8.99509 5.06502 10.7814 9.83618 13.5377 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 5.73331 6.45462 10.7814 9.83618 13.7177 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.47617 8.48694 10.5986 10.7814 9.83618 16.6116 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.96262 8.64872 9.02771 4.79472 6.33365 5.15851 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 8.64872 8.96262 9.02771 4.79472 5.15851 6.33365 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 5.25504 7.84991 6.88931 4.37893 8.75946 11.4549 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.75736 6.32178 7.93571 9.88404 8.94837 7.77454 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 6.76166 7.2977 7.93571 6.15672 8.94837 7.77454 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 6.32178 8.75736 7.93571 9.88404 7.77454 8.94837 numMergedOcc 0
9 mol 134 unq 3 iso 0 dist 7.2977 6.76166 7.93571 6.15672 7.77454 8.94837 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.0847 9.37459 5.42328 12.6562 9.13561 12.4808 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 9.0847 6.00061 6.4896 12.6562 9.13561 14.1119 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 9.0847 8.33302 10.2431 12.6562 9.13561 17.6022 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 9.25604 6.32876 13.7051 5.5355 6.88137 11.8147 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.50454 7.15963 11.9017 10.9336 6.93764 14.5723 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.15963 9.50454 11.9017 9.09192 6.94688 15.7174 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 7.15963 9.50454 11.9017 12.1848 6.71012 16.3976 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 7.22234 8.48081 5.45334 10.6066 6.0965 11.5105 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 7.22234 8.48081 5.45334 15.6607 9.59129 13.8919 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 6.15754 8.9413 5.88703 4.48571 6.25105 7.85175 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 8.9413 6.15754 5.88703 6.40261 9.5707 10.3388 numMergedOcc 0
21 mol 234 unq 2 iso 0 dist 8.9413 6.15754 5.88703 4.48571 7.85175 6.25105 numMergedOcc 0
22 mol 234 unq 3 iso 0 dist 4.91961 7.14333 10.2693 12.2893 9.5707 11.8897 numMergedOcc 0
23 mol 234 unq 4 iso 0 dist 4.91961 7.14333 10.2693 11.1927 7.85175 13.0678 numMergedOcc 0
24 mol 234 unq 5 iso 0 dist 7.14333 4.91961 10.2693 10.3017 9.39181 10.475 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.39522 5.99187 14.0328 10.4124 6.91569 15.5389 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 8.39522 9.93378 15.8898 10.4124 6.91569 15.6485 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 7.0935 7.12912 4.28414 6.65921 6.15305 7.03489 numMergedOcc 0
28 mol 240 unq 1 iso 0 dist 7.0935 7.12912 4.28414 10.6145 8.0951 12.1358 numMergedOcc 0
29 mol 240 unq 2 iso 0 dist 7.12912 7.0935 4.28414 6.65921 7.03489 6.15305 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 9.39147 8.69557 10.2411 11.562 8.61104 16.5348 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 6.20344 5.29682 4.69778 12.9748 7.48005 10.9591 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 7.12228 7.34596 4.66602 7.00729 7.32347 10.4802 numMergedOcc 0
