0 mol 11 unq 0 iso 0 dist 7.98326 9.81983 6.76736 9.74251 6.859 9.89425 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 7.90478 9.81983 13.5186 9.74251 12.1329 9.89425 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.03257 6.31608 11.6414 5.33641 10.761 5.7147 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 5.95834 5.9372 4.11146 11.6859 9.85784 9.58192 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 4.2121 6.93597 4.11146 11.076 9.85784 9.58192 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.35861 9.82851 12.335 5.29055 12.3279 8.97754 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 6.56527 9.11311 12.5394 4.76998 6.81793 8.97754 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 8.29857 7.11491 11.505 8.23404 15.6785 7.78689 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 8.19993 7.1829 11.5388 8.13327 15.4035 7.70645 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 8.19993 5.82264 3.65036 5.50677 9.39276 7.7927 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 8.19993 5.82264 3.65036 3.90503 9.00368 6.17378 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 9.17082 8.75957 10.1455 10.0092 16.7717 9.41463 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 9.78384 7.56495 13.2204 9.78235 18.0996 7.92114 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 9.78384 7.56495 13.2204 6.06691 15.7528 8.18375 numMergedOcc 0
14 mol 79 unq 2 iso 0 dist 9.78384 6.86517 5.84075 3.99035 9.77084 9.04293 numMergedOcc 0
15 mol 79 unq 3 iso 0 dist 9.78384 6.86517 5.84075 4.53016 6.5551 4.78333 numMergedOcc 0
16 mol 79 unq 4 iso 0 dist 8.03296 6.2576 6.07693 4.03842 11.5917 7.92114 numMergedOcc 0
17 mol 79 unq 5 iso 0 dist 8.03296 6.2576 6.07693 3.81317 8.02443 8.18375 numMergedOcc 0
18 mol 79 unq 6 iso 0 dist 5.82754 8.96069 6.07693 10.6312 11.5917 7.92114 numMergedOcc 0
19 mol 79 unq 7 iso 0 dist 5.82754 8.96069 6.07693 4.08868 8.02443 8.18375 numMergedOcc 0
20 mol 79 unq 8 iso 0 dist 8.87742 7.56495 6.07693 9.78235 11.5917 7.92114 numMergedOcc 0
21 mol 79 unq 9 iso 0 dist 8.87742 7.56495 6.07693 6.06691 8.02443 8.18375 numMergedOcc 0
22 mol 79 unq 10 iso 0 dist 9.26979 6.2576 5.25584 4.03842 11.3093 7.92114 numMergedOcc 0
23 mol 79 unq 11 iso 0 dist 9.26979 6.2576 5.25584 3.81317 9.09458 8.18375 numMergedOcc 0
24 mol 79 unq 12 iso 0 dist 9.26979 8.33791 13.333 6.69352 15.8911 9.04293 numMergedOcc 0
25 mol 79 unq 13 iso 0 dist 9.26979 8.33791 13.333 6.0749 13.1034 4.78333 numMergedOcc 0
26 mol 79 unq 14 iso 0 dist 9.26979 7.38548 10.3746 6.0749 13.1034 4.74254 numMergedOcc 0
27 mol 79 unq 15 iso 0 dist 9.05679 8.96069 5.25584 10.6312 11.3093 7.92114 numMergedOcc 0
28 mol 79 unq 16 iso 0 dist 9.05679 8.96069 5.25584 4.08868 9.09458 8.18375 numMergedOcc 0
29 mol 79 unq 17 iso 0 dist 9.05679 8.33791 12.313 6.69352 14.2283 9.04293 numMergedOcc 0
30 mol 79 unq 18 iso 0 dist 9.05679 8.33791 12.313 6.0749 13.3971 4.78333 numMergedOcc 0
31 mol 79 unq 19 iso 0 dist 9.05679 7.38548 12.3366 6.0749 13.3971 4.74254 numMergedOcc 0
32 mol 79 unq 20 iso 0 dist 4.93468 7.56495 5.25584 9.78235 11.3093 7.92114 numMergedOcc 0
33 mol 79 unq 21 iso 0 dist 4.93468 7.56495 5.25584 6.06691 9.09458 8.18375 numMergedOcc 0
34 mol 79 unq 22 iso 0 dist 4.93468 8.33791 5.84075 6.69352 9.77084 9.04293 numMergedOcc 0
35 mol 79 unq 23 iso 0 dist 4.93468 8.33791 5.84075 6.0749 6.5551 4.78333 numMergedOcc 0
36 mol 79 unq 24 iso 0 dist 4.93468 7.38548 5.41884 6.0749 6.5551 4.74254 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 7.20249 6.21165 5.77063 10.3622 9.6153 4.55071 numMergedOcc 0
38 mol 131 unq 0 iso 0 dist 5.87084 8.47526 4.94367 6.11089 7.75314 8.49847 numMergedOcc 0
39 mol 141 unq 0 iso 0 dist 6.75376 8.40695 5.59893 11.0215 11.431 7.56563 numMergedOcc 0
40 mol 184 unq 0 iso 0 dist 7.54099 7.02762 4.12242 4.67256 7.58375 5.23187 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 6.21159 5.25762 5.39534 12.7314 11.554 9.34653 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 6.95912 9.23152 5.9468 7.08709 10.3645 8.06767 numMergedOcc 0
43 mol 287 unq 1 iso 0 dist 6.95912 9.23152 5.9468 16.9083 15.202 9.91087 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 6.95912 9.23152 5.9468 7.08709 10.3645 8.06767 numMergedOcc 0
45 mol 288 unq 1 iso 0 dist 6.95912 9.23152 5.9468 16.9083 15.202 9.91087 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 6.95912 9.23152 5.9468 7.08709 10.3645 8.06767 numMergedOcc 0
47 mol 289 unq 1 iso 0 dist 6.95912 9.23152 5.9468 16.9083 15.202 9.91087 numMergedOcc 0
