0 mol 17 unq 0 iso 0 dist 9.877 7.82406 7.31113 8.91991 5.16502 10.1852 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.877 7.82406 7.31113 9.59996 8.26398 12.7769 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.15893 5.497 4.36675 7.97596 9.82851 9.11311 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 5.497 6.15893 4.36675 7.97596 9.11311 9.82851 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 8.71752 7.60283 9.51391 10.9668 9.29273 12.0809 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.33027 7.32707 6.47508 3.85603 8.0991 8.80175 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.33027 7.32707 6.47508 7.03719 9.95093 12.1965 numMergedOcc 0
7 mol 34 unq 2 iso 0 dist 9.33027 7.90574 9.35568 3.85603 8.0991 8.61637 numMergedOcc 0
8 mol 34 unq 3 iso 0 dist 9.33027 7.90574 9.35568 7.03719 9.95093 13.2424 numMergedOcc 0
9 mol 34 unq 4 iso 0 dist 8.2946 9.25346 6.47508 4.42374 8.0991 8.80175 numMergedOcc 0
10 mol 34 unq 5 iso 0 dist 8.2946 9.25346 6.47508 3.69607 9.95093 12.1965 numMergedOcc 0
11 mol 34 unq 6 iso 0 dist 7.32707 9.33027 6.47508 3.85603 8.80175 8.0991 numMergedOcc 0
12 mol 34 unq 7 iso 0 dist 7.32707 7.90574 5.79796 3.85603 8.80175 8.61637 numMergedOcc 0
13 mol 34 unq 8 iso 0 dist 9.25346 8.2946 6.47508 4.42374 8.80175 8.0991 numMergedOcc 0
14 mol 34 unq 9 iso 0 dist 7.90574 9.33027 9.35568 3.85603 8.61637 8.0991 numMergedOcc 0
15 mol 34 unq 10 iso 0 dist 7.90574 7.32707 5.79796 3.85603 8.61637 8.80175 numMergedOcc 0
16 mol 87 unq 0 iso 0 dist 7.2268 9.69219 5.17492 8.53566 9.41934 13.7809 numMergedOcc 0
17 mol 87 unq 1 iso 0 dist 8.31175 9.28624 6.04216 3.63275 9.41934 10.3339 numMergedOcc 0
18 mol 128 unq 0 iso 0 dist 6.98158 7.75012 10.8727 10.624 7.4442 17.122 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 4.25566 7.31037 6.33946 9.08526 4.92382 8.38715 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 7.31037 4.25566 6.33946 8.16657 8.40695 11.063 numMergedOcc 0
21 mol 141 unq 2 iso 0 dist 7.31037 4.25566 6.33946 11.0792 9.35867 13.4387 numMergedOcc 0
22 mol 141 unq 3 iso 0 dist 8.00449 8.75562 4.27704 9.53687 9.62774 12.9127 numMergedOcc 0
23 mol 146 unq 0 iso 0 dist 6.50043 9.44952 5.54669 6.19717 6.73137 5.95148 numMergedOcc 0
24 mol 146 unq 1 iso 0 dist 9.44952 6.50043 5.54669 6.19717 5.95148 6.73137 numMergedOcc 0
25 mol 148 unq 0 iso 0 dist 8.73468 9.73927 4.32771 10.8312 9.17462 5.75959 numMergedOcc 0
26 mol 148 unq 1 iso 0 dist 8.73468 9.73927 4.32771 4.43652 8.74878 10.0716 numMergedOcc 0
27 mol 148 unq 2 iso 0 dist 9.73927 8.73468 4.32771 10.8312 5.75959 9.17462 numMergedOcc 0
28 mol 150 unq 0 iso 0 dist 8.73558 9.66129 4.39943 10.8596 9.01668 5.4798 numMergedOcc 0
29 mol 150 unq 1 iso 0 dist 8.73558 9.66129 4.39943 4.48089 8.74018 10.0288 numMergedOcc 0
30 mol 150 unq 2 iso 0 dist 9.66129 8.73558 4.39943 10.8596 5.4798 9.01668 numMergedOcc 0
31 mol 175 unq 0 iso 0 dist 6.26365 7.04177 4.39517 3.63393 4.51777 4.9606 numMergedOcc 0
32 mol 175 unq 1 iso 0 dist 7.04177 6.26365 4.39517 3.63393 4.9606 4.51777 numMergedOcc 0
33 mol 256 unq 0 iso 0 dist 7.48269 6.71249 6.10011 3.89364 4.36333 6.96483 numMergedOcc 0
34 mol 256 unq 1 iso 0 dist 7.48269 9.18903 12.5562 3.89364 4.36333 11.5655 numMergedOcc 0
35 mol 256 unq 2 iso 0 dist 6.71249 7.48269 6.10011 3.89364 6.96483 4.36333 numMergedOcc 0
36 mol 256 unq 3 iso 0 dist 6.71249 9.18903 8.13145 3.89364 6.96483 11.5655 numMergedOcc 0
37 mol 256 unq 4 iso 0 dist 9.18903 7.48269 12.5562 8.80744 8.08629 15.447 numMergedOcc 0
38 mol 256 unq 5 iso 0 dist 9.18903 6.71249 8.13145 8.80744 8.08629 11.2963 numMergedOcc 0
