0 mol 25 unq 0 iso 0 dist 8.46842 10.5274 8.40051 13.3513 7.57578 13.466 10.4123 6.16347 4.32173 9.34396 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.46842 10.5274 8.40051 13.3513 7.57578 13.466 12.1605 7.92503 15.9662 6.11127 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.46842 10.5274 8.40051 14.4516 7.17969 14.4191 10.4123 6.16347 4.32173 10.8498 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.46842 10.5274 8.40051 14.4516 7.17969 14.4191 12.1605 7.92503 15.9662 5.30154 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 8.50987 12.3669 7.63928 6.44262 6.03987 6.17631 4.95472 6.85556 9.78075 5.68392 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 7.42893 4.58154 5.22543 5.81947 6.57035 4.50603 9.31844 6.98314 5.08458 5.53055 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.06272 4.02665 6.38163 8.2292 9.61051 8.61575 6.48813 6.28565 7.03404 6.30169 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.06272 4.02665 6.38163 8.2292 9.61051 8.61575 6.93006 7.58957 4.92611 5.68211 numMergedOcc 0
8 mol 129 unq 2 iso 0 dist 9.06272 4.02665 6.38163 10.7142 5.83384 10.0961 6.48813 6.28565 7.03404 4.55551 numMergedOcc 0
9 mol 129 unq 3 iso 0 dist 9.06272 4.02665 6.38163 10.7142 5.83384 10.0961 6.93006 7.58957 4.92611 10.5488 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.44766 11.2112 7.81337 7.69184 6.85062 11.4498 12.0238 8.70296 4.34786 14.2045 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.44766 11.2112 7.81337 7.69184 6.85062 11.4498 6.81696 9.25558 11.6607 5.09131 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 7.24785 16.5686 9.88732 14.0966 9.62337 6.54937 8.09502 5.85827 10.6052 8.78204 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 7.24785 11.9699 5.77949 14.0966 9.62337 6.91082 8.09502 5.85827 5.62869 8.78204 numMergedOcc 0
14 mol 180 unq 2 iso 0 dist 7.24785 14.8912 8.68403 14.0966 9.62337 10.1423 8.09502 5.85827 8.39191 8.78204 numMergedOcc 0
15 mol 180 unq 3 iso 0 dist 7.24785 4.80648 5.80441 14.0966 9.62337 9.82186 8.09502 5.85827 4.11186 8.78204 numMergedOcc 0
16 mol 180 unq 4 iso 0 dist 7.53287 15.4961 9.88732 14.0344 9.62337 6.54937 5.6141 5.85827 10.6052 8.78204 numMergedOcc 0
17 mol 180 unq 5 iso 0 dist 7.53287 10.2233 5.77949 14.0344 9.62337 6.91082 5.6141 5.85827 5.62869 8.78204 numMergedOcc 0
18 mol 180 unq 6 iso 0 dist 7.53287 12.1751 8.68403 14.0344 9.62337 10.1423 5.6141 5.85827 8.39191 8.78204 numMergedOcc 0
19 mol 180 unq 7 iso 0 dist 7.53287 5.28726 5.80441 14.0344 9.62337 9.82186 5.6141 5.85827 4.11186 8.78204 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 8.81925 9.27187 9.55777 9.75789 8.01589 6.54251 6.11074 7.67576 12.979 10.3151 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 8.81925 9.27187 9.55777 9.75789 8.01589 6.54251 6.22277 9.82371 4.05539 8.52017 numMergedOcc 0
22 mol 222 unq 2 iso 0 dist 8.81925 9.27187 9.55777 12.7799 7.7699 15.3892 6.11074 7.67576 12.979 7.81022 numMergedOcc 0
23 mol 222 unq 3 iso 0 dist 8.81925 9.27187 9.55777 12.7799 7.7699 15.3892 6.22277 9.82371 4.05539 15.7504 numMergedOcc 0
24 mol 222 unq 4 iso 0 dist 8.81925 9.27187 9.55777 12.5625 7.21333 16.4881 6.11074 7.67576 12.979 7.75656 numMergedOcc 0
25 mol 222 unq 5 iso 0 dist 8.81925 9.27187 9.55777 12.5625 7.21333 16.4881 6.22277 9.82371 4.05539 16.0949 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 9.73858 5.61461 6.44212 7.43079 6.16342 7.97883 4.91532 8.84636 8.28901 4.30299 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 12.1004 7.57994 9.07501 5.56847 5.48118 4.20164 10.7772 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 9.14351 8.05633 6.37672 9.40115 6.18582 4.24014 5.56847 5.48118 4.20164 7.04666 numMergedOcc 0
29 mol 249 unq 2 iso 0 dist 9.14351 6.09778 8.94023 12.1004 7.57994 9.53929 5.56847 5.48118 5.93404 10.7772 numMergedOcc 0
30 mol 249 unq 3 iso 0 dist 9.14351 6.09778 8.94023 9.40115 6.18582 5.36989 5.56847 5.48118 5.93404 7.04666 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 5.07898 7.46176 15.3806 13.5186 7.08526 8.74892 8.81835 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 6.87804 12.1872 9.20416 11.634 8.2734 5.26243 13.9059 7.07965 11.6878 10.8848 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 6.87804 12.2904 7.53641 11.634 8.2734 5.58251 13.9059 7.07965 8.46139 10.8848 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 6.07571 11.4534 9.20416 8.66797 8.2734 5.26243 4.59906 7.07965 11.6878 10.8848 numMergedOcc 0
35 mol 292 unq 3 iso 0 dist 6.07571 4.49811 7.53641 8.66797 8.2734 5.58251 4.59906 7.07965 8.46139 10.8848 numMergedOcc 0
