0 mol 25 unq 0 iso 0 dist 8.46842 10.5274 8.40051 10.4123 6.16347 4.32173 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.46842 10.5274 8.40051 12.1605 7.92503 15.9662 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.50987 12.3669 7.63928 4.95472 6.85556 9.78075 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.28058 7.70943 8.06168 4.58554 6.02816 4.53047 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.28058 3.98918 8.67532 4.58554 6.02816 7.05537 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 7.42893 4.58154 5.22543 9.31844 6.98314 5.08458 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.06272 4.02665 6.38163 6.48813 6.28565 7.03404 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.06272 4.02665 6.38163 6.93006 7.58957 4.92611 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.44766 11.2112 7.81337 12.0238 8.70296 4.34786 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.44766 11.2112 7.81337 6.81696 9.25558 11.6607 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 9.84636 15.867 7.30954 6.84084 7.33273 13.8868 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 7.24785 16.5686 9.88732 8.09502 5.85827 10.6052 numMergedOcc 0
12 mol 180 unq 1 iso 0 dist 7.24785 11.9699 5.77949 8.09502 5.85827 5.62869 numMergedOcc 0
13 mol 180 unq 2 iso 0 dist 7.24785 14.8912 8.68403 8.09502 5.85827 8.39191 numMergedOcc 0
14 mol 180 unq 3 iso 0 dist 7.24785 4.80648 5.80441 8.09502 5.85827 4.11186 numMergedOcc 0
15 mol 180 unq 4 iso 0 dist 7.53287 15.4961 9.88732 5.6141 5.85827 10.6052 numMergedOcc 0
16 mol 180 unq 5 iso 0 dist 7.53287 10.2233 5.77949 5.6141 5.85827 5.62869 numMergedOcc 0
17 mol 180 unq 6 iso 0 dist 7.53287 12.1751 8.68403 5.6141 5.85827 8.39191 numMergedOcc 0
18 mol 180 unq 7 iso 0 dist 7.53287 5.28726 5.80441 5.6141 5.85827 4.11186 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 8.81925 9.27187 9.55777 6.11074 7.67576 12.979 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 8.81925 9.27187 9.55777 6.22277 9.82371 4.05539 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.73858 5.61461 6.44212 4.91532 8.84636 8.28901 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 5.56847 5.48118 4.20164 numMergedOcc 0
23 mol 249 unq 1 iso 0 dist 9.14351 6.09778 8.94023 5.56847 5.48118 5.93404 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 13.5186 7.08526 8.74892 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 7.59727 3.76546 9.56149 5.88597 9.70714 6.15348 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 7.29148 4.34283 9.6898 6.48749 7.83341 7.31058 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 7.29148 11.1098 5.75596 6.48749 7.83341 8.07013 numMergedOcc 0
28 mol 292 unq 2 iso 0 dist 6.87804 12.1872 9.20416 13.9059 7.07965 11.6878 numMergedOcc 0
29 mol 292 unq 3 iso 0 dist 6.87804 12.2904 7.53641 13.9059 7.07965 8.46139 numMergedOcc 0
30 mol 292 unq 4 iso 0 dist 6.07571 11.4534 9.20416 4.59906 7.07965 11.6878 numMergedOcc 0
31 mol 292 unq 5 iso 0 dist 6.07571 4.49811 7.53641 4.59906 7.07965 8.46139 numMergedOcc 0
