0 mol 6 unq 0 iso 0 dist 9.38351 9.47965 4.59751 16.4452 7.27315 9.97675 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.31292 8.55031 13.8587 11.9729 20.1357 8.16059 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.05728 7.40694 6.39496 5.28198 11.6611 7.99399 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.72833 9.60995 12.3451 10.0087 17.1061 8.23618 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.09675 6.70925 7.78899 4.71695 12.8026 9.94312 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.02753 8.95756 7.78899 7.02797 12.8026 9.94312 numMergedOcc 0
6 mol 86 unq 0 iso 0 dist 8.32885 7.91639 6.24673 4.44978 8.45348 6.7293 numMergedOcc 0
7 mol 86 unq 1 iso 0 dist 8.32885 7.91639 6.24673 8.34552 8.43052 9.29934 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.53726 9.88184 7.30364 13.3931 9.46036 4.85152 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 5.37819 5.57712 5.88809 5.99356 9.86635 7.4658 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 7.22737 5.5199 6.63446 5.2394 9.78643 5.51185 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 9.22651 8.07962 6.43211 7.92108 4.84683 9.61113 numMergedOcc 0
12 mol 102 unq 1 iso 0 dist 9.22651 8.07962 6.43211 4.9259 11.9011 7.73836 numMergedOcc 0
13 mol 102 unq 2 iso 0 dist 9.22651 9.54857 6.93587 7.92108 4.84683 7.59973 numMergedOcc 0
14 mol 102 unq 3 iso 0 dist 5.32892 7.58908 6.43211 4.51114 4.84683 9.61113 numMergedOcc 0
15 mol 102 unq 4 iso 0 dist 5.32892 7.58908 6.43211 9.29865 11.9011 7.73836 numMergedOcc 0
16 mol 102 unq 5 iso 0 dist 5.32892 9.32058 6.93587 4.51114 4.84683 7.59973 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 9.83596 6.81489 5.13142 5.76817 10.1642 5.24519 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.34752 9.2167 12.8972 6.32623 15.2033 9.29439 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 9.09918 8.89412 4.1643 10.3282 7.56704 7.8034 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.96416 9.63488 15.8182 7.55155 17.0189 6.89564 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 7.17051 9.63488 13.6469 7.55155 11.5816 6.89564 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 5.9962 9.63488 6.63023 7.55155 9.31413 6.89564 numMergedOcc 0
23 mol 133 unq 3 iso 0 dist 8.61448 9.31907 6.63023 10.3667 9.31413 6.89564 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.29691 9.76275 5.01462 9.43849 10.1857 7.99446 numMergedOcc 0
25 mol 183 unq 0 iso 0 dist 9.15795 9.92635 6.08414 15.7519 13.1461 9.81282 numMergedOcc 0
26 mol 183 unq 1 iso 0 dist 8.72128 7.85507 6.08414 15.2905 13.1461 9.81282 numMergedOcc 0
27 mol 185 unq 0 iso 0 dist 7.64068 5.40655 4.81985 8.51 10.876 6.11382 numMergedOcc 0
28 mol 199 unq 0 iso 0 dist 9.86694 7.16849 5.88171 4.98653 12.3093 7.29716 numMergedOcc 0
29 mol 250 unq 0 iso 0 dist 5.43868 8.62074 4.69451 11.1655 9.83369 9.08048 numMergedOcc 0
30 mol 250 unq 1 iso 0 dist 7.02096 8.62074 10.5803 11.1655 16.8387 9.08048 numMergedOcc 0
31 mol 250 unq 2 iso 0 dist 9.80833 8.62074 10.0219 11.1655 11.5413 9.08048 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 9.81689 6.98812 5.57706 7.40176 9.35563 8.19772 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 9.36806 9.33447 5.69904 9.20929 11.366 6.35457 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 7.51446 3.90274 5.69904 4.55986 11.366 6.35457 numMergedOcc 0
35 mol 266 unq 2 iso 0 dist 7.51446 7.49024 11.0588 8.79928 15.997 9.27042 numMergedOcc 0
