0 mol 2 unq 0 iso 0 dist 8.54182 10.0503 5.42021 5.58715 5.5745 5.67638 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 8.54182 13.5914 9.15006 5.58715 5.5745 9.47807 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 4.97954 11.3221 9.25641 9.6925 9.96265 16.532 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 7.20455 8.86573 9.66898 4.38531 7.12423 12.4834 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.17977 5.74095 4.67917 5.03832 8.05508 5.29688 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 6.17977 5.74095 4.67917 6.31331 9.00229 11.0325 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 6.17977 9.53452 5.81747 5.03832 8.05508 12.0007 numMergedOcc 0
7 mol 59 unq 3 iso 0 dist 6.17977 9.53452 5.81747 6.31331 9.00229 10.9658 numMergedOcc 0
8 mol 59 unq 4 iso 0 dist 9.0756 6.00127 4.67917 7.72666 8.05508 5.29688 numMergedOcc 0
9 mol 59 unq 5 iso 0 dist 9.0756 6.00127 4.67917 10.7027 9.00229 11.0325 numMergedOcc 0
10 mol 59 unq 6 iso 0 dist 9.0756 8.67492 5.81747 7.72666 8.05508 12.0007 numMergedOcc 0
11 mol 59 unq 7 iso 0 dist 9.0756 8.67492 5.81747 10.7027 9.00229 10.9658 numMergedOcc 0
12 mol 59 unq 8 iso 0 dist 6.83083 6.36602 4.67917 10.3198 8.05508 5.29688 numMergedOcc 0
13 mol 59 unq 9 iso 0 dist 6.83083 6.36602 4.67917 9.44066 9.00229 11.0325 numMergedOcc 0
14 mol 59 unq 10 iso 0 dist 6.83083 3.98162 5.81747 10.3198 8.05508 12.0007 numMergedOcc 0
15 mol 59 unq 11 iso 0 dist 6.83083 3.98162 5.81747 9.44066 9.00229 10.9658 numMergedOcc 0
16 mol 81 unq 0 iso 0 dist 9.1024 4.79903 5.96486 9.71929 9.08307 5.65355 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 7.923 5.17317 8.36326 4.6558 8.69069 3.96825 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 7.923 5.17317 8.36326 15.9971 9.65047 16.7208 numMergedOcc 0
19 mol 95 unq 2 iso 0 dist 8.54807 12.9313 8.36326 11.7964 8.69069 3.96825 numMergedOcc 0
20 mol 95 unq 3 iso 0 dist 8.54807 12.9313 8.36326 6.40193 9.65047 16.7208 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 9.9065 16.0236 8.06034 10.7105 5.17585 5.48442 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 9.52341 8.57385 7.72434 6.96368 7.91337 12.3603 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 9.52341 8.57385 7.72434 6.46673 6.40546 6.0968 numMergedOcc 0
24 mol 132 unq 0 iso 0 dist 7.40347 4.22914 8.883 8.33357 8.7366 12.3669 numMergedOcc 0
25 mol 169 unq 0 iso 0 dist 6.58221 11.3596 8.44483 14.8472 9.46833 14.0747 numMergedOcc 0
26 mol 169 unq 1 iso 0 dist 6.58221 11.6029 9.79864 14.8472 9.46833 11.1911 numMergedOcc 0
27 mol 169 unq 2 iso 0 dist 6.58221 10.4615 9.73241 14.8472 9.46833 9.31064 numMergedOcc 0
28 mol 180 unq 0 iso 0 dist 6.68933 7.00105 8.39718 5.84141 7.1027 4.28574 numMergedOcc 0
29 mol 187 unq 0 iso 0 dist 5.95841 8.44179 7.81168 10.643 9.36086 12.368 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 6.99667 7.73947 8.80167 6.23589 4.84709 5.67031 numMergedOcc 0
31 mol 214 unq 1 iso 0 dist 6.22499 12.5418 8.80167 7.3913 4.84709 5.67031 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 8.13918 9.25512 9.18638 7.37728 9.42743 15.4677 numMergedOcc 0
33 mol 237 unq 1 iso 0 dist 8.13918 9.25512 9.18638 11.4971 9.5822 4.37008 numMergedOcc 0
34 mol 251 unq 0 iso 0 dist 6.70168 5.78162 8.89433 4.68707 9.228 7.37036 numMergedOcc 0
35 mol 251 unq 1 iso 0 dist 6.70168 5.78162 8.89433 8.26465 7.4878 8.64172 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 9.22345 10.9754 8.35169 9.02631 9.64124 10.1669 numMergedOcc 0
37 mol 292 unq 1 iso 0 dist 9.22345 10.9754 8.35169 8.46956 9.30668 5.58251 numMergedOcc 0
38 mol 292 unq 2 iso 0 dist 9.81603 6.32057 8.35169 13.3056 7.53641 8.04474 numMergedOcc 0
39 mol 292 unq 3 iso 0 dist 9.81603 11.9071 7.7557 13.3056 7.53641 9.00118 numMergedOcc 0
