0 mol 26 unq 0 iso 0 dist 7.22361 12.6238 9.82851 11.4325 4.36675 9.11311 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.15893 7.97596 9.82851 5.497 4.36675 9.11311 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 5.497 7.97596 9.11311 6.15893 4.36675 9.82851 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.33027 3.85603 8.0991 7.32707 6.47508 8.80175 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 9.33027 3.85603 8.0991 7.90574 9.35568 8.61637 numMergedOcc 0
5 mol 34 unq 2 iso 0 dist 8.2946 4.42374 8.0991 9.25346 6.47508 8.80175 numMergedOcc 0
6 mol 34 unq 3 iso 0 dist 8.2946 4.42374 8.0991 11.4519 9.35568 8.61637 numMergedOcc 0
7 mol 34 unq 4 iso 0 dist 7.32707 3.85603 8.80175 9.33027 6.47508 8.0991 numMergedOcc 0
8 mol 34 unq 5 iso 0 dist 7.32707 3.85603 8.80175 7.90574 5.79796 8.61637 numMergedOcc 0
9 mol 34 unq 6 iso 0 dist 9.25346 4.42374 8.80175 8.2946 6.47508 8.0991 numMergedOcc 0
10 mol 34 unq 7 iso 0 dist 9.25346 4.42374 8.80175 11.4519 5.79796 8.61637 numMergedOcc 0
11 mol 34 unq 8 iso 0 dist 7.90574 3.85603 8.61637 9.33027 9.35568 8.0991 numMergedOcc 0
12 mol 34 unq 9 iso 0 dist 7.90574 3.85603 8.61637 7.32707 5.79796 8.80175 numMergedOcc 0
13 mol 39 unq 0 iso 0 dist 6.24515 8.56189 9.02925 12.6651 8.29421 9.76979 numMergedOcc 0
14 mol 39 unq 1 iso 0 dist 6.47855 11.3851 9.02925 14.581 8.29421 9.76979 numMergedOcc 0
15 mol 39 unq 2 iso 0 dist 9.48031 7.29013 9.76979 13.709 8.29421 9.02925 numMergedOcc 0
16 mol 48 unq 0 iso 0 dist 8.58829 12.2529 8.56365 17.448 11.4396 5.82264 numMergedOcc 0
17 mol 48 unq 1 iso 0 dist 8.58829 5.98272 7.47783 9.8428 9.17835 7.32996 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 9.63599 12.7451 7.56495 15.9914 7.7277 6.2576 numMergedOcc 0
19 mol 79 unq 1 iso 0 dist 9.63599 12.7451 7.56495 12.6003 7.2005 8.96069 numMergedOcc 0
20 mol 79 unq 2 iso 0 dist 9.63599 13.0682 7.63923 16.0562 8.10444 5.79139 numMergedOcc 0
21 mol 79 unq 3 iso 0 dist 5.9249 4.39784 5.79139 9.71811 8.10444 7.63923 numMergedOcc 0
22 mol 79 unq 4 iso 0 dist 7.87237 8.42733 8.33791 12.9276 8.25967 6.86517 numMergedOcc 0
23 mol 79 unq 5 iso 0 dist 7.87237 6.58977 8.2992 11.031 7.21092 9.99805 numMergedOcc 0
24 mol 79 unq 6 iso 0 dist 7.87237 4.35906 6.72546 11.031 7.21092 8.84225 numMergedOcc 0
25 mol 79 unq 7 iso 0 dist 8.01743 7.82927 7.56495 12.5384 7.7277 6.2576 numMergedOcc 0
26 mol 79 unq 8 iso 0 dist 8.01743 7.82927 7.56495 13.5439 7.2005 8.96069 numMergedOcc 0
27 mol 79 unq 9 iso 0 dist 8.01743 5.01567 7.63923 9.26568 8.10444 5.79139 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 6.93279 8.4466 8.31198 12.7491 6.26901 9.81349 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 7.31037 11.0792 9.35867 13.4855 6.59975 9.38036 numMergedOcc 0
30 mol 146 unq 0 iso 0 dist 6.50043 6.19717 6.73137 9.44952 5.54669 5.95148 numMergedOcc 0
31 mol 146 unq 1 iso 0 dist 9.44952 6.19717 5.95148 6.50043 5.54669 6.73137 numMergedOcc 0
32 mol 148 unq 0 iso 0 dist 8.73468 10.8312 9.17462 9.73927 4.32771 5.75959 numMergedOcc 0
33 mol 148 unq 1 iso 0 dist 8.73468 10.8312 9.17462 12.6536 5.84014 6.6946 numMergedOcc 0
34 mol 148 unq 2 iso 0 dist 9.73927 10.8312 5.75959 8.73468 4.32771 9.17462 numMergedOcc 0
35 mol 148 unq 3 iso 0 dist 9.73927 10.8312 5.75959 12.6536 4.26306 6.6946 numMergedOcc 0
36 mol 150 unq 0 iso 0 dist 8.73558 10.8596 9.01668 9.66129 4.39943 5.4798 numMergedOcc 0
37 mol 150 unq 1 iso 0 dist 8.73558 10.8596 9.01668 12.6576 5.93611 6.32391 numMergedOcc 0
38 mol 150 unq 2 iso 0 dist 9.66129 10.8596 5.4798 8.73558 4.39943 9.01668 numMergedOcc 0
39 mol 150 unq 3 iso 0 dist 9.66129 10.8596 5.4798 12.6576 4.30207 6.32391 numMergedOcc 0
40 mol 158 unq 0 iso 0 dist 9.6096 5.30823 4.6512 12.3466 6.5476 9.45696 numMergedOcc 0
41 mol 175 unq 0 iso 0 dist 9.19117 6.54263 4.51777 11.2844 4.39517 4.9606 numMergedOcc 0
42 mol 175 unq 1 iso 0 dist 6.26365 3.63393 4.51777 7.04177 4.39517 4.9606 numMergedOcc 0
43 mol 175 unq 2 iso 0 dist 7.04177 3.63393 4.9606 6.26365 4.39517 4.51777 numMergedOcc 0
44 mol 188 unq 0 iso 0 dist 9.33696 4.61059 8.4784 11.4648 9.01338 8.34477 numMergedOcc 0
45 mol 256 unq 0 iso 0 dist 7.48269 3.89364 4.36333 6.71249 6.10011 6.96483 numMergedOcc 0
46 mol 256 unq 1 iso 0 dist 6.71249 3.89364 6.96483 7.48269 6.10011 4.36333 numMergedOcc 0
47 mol 256 unq 2 iso 0 dist 9.18903 8.80744 8.08629 11.592 4.56465 6.63831 numMergedOcc 0
48 mol 256 unq 3 iso 0 dist 9.18903 8.80744 8.08629 17.4138 12.3316 9.03979 numMergedOcc 0
