0 mol 2 unq 0 iso 0 dist 8.54182 10.0503 5.42021 5.58715 5.5745 5.67638 4.8518 8.5893 11.5155 8.75089 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 8.54182 10.0503 5.42021 5.58715 5.5745 5.67638 7.12473 8.29974 8.29487 8.39246 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 8.54182 13.5914 9.15006 5.58715 5.5745 9.47807 4.8518 8.5893 14.9035 8.75089 numMergedOcc 0
3 mol 2 unq 3 iso 0 dist 8.54182 13.5914 9.15006 5.58715 5.5745 9.47807 7.12473 8.29974 10.4153 8.39246 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 4.97954 11.3221 9.25641 9.6925 9.96265 16.532 11.5072 9.38647 3.51573 14.5995 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 6.17977 5.74095 4.67917 5.03832 8.05508 5.29688 7.57949 8.11934 9.75263 12.2118 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 6.17977 5.74095 4.67917 6.31331 9.00229 11.0325 7.57949 8.11934 9.75263 5.43926 numMergedOcc 0
7 mol 59 unq 2 iso 0 dist 6.17977 9.53452 5.81747 5.03832 8.05508 12.0007 7.57949 8.11934 6.8954 12.2118 numMergedOcc 0
8 mol 59 unq 3 iso 0 dist 6.17977 9.53452 5.81747 6.31331 9.00229 10.9658 7.57949 8.11934 6.8954 5.43926 numMergedOcc 0
9 mol 59 unq 4 iso 0 dist 9.0756 6.00127 4.67917 7.72666 8.05508 5.29688 8.50782 8.11934 9.75263 12.2118 numMergedOcc 0
10 mol 59 unq 5 iso 0 dist 9.0756 6.00127 4.67917 10.7027 9.00229 11.0325 8.50782 8.11934 9.75263 5.43926 numMergedOcc 0
11 mol 59 unq 6 iso 0 dist 9.0756 8.67492 5.81747 7.72666 8.05508 12.0007 8.50782 8.11934 6.8954 12.2118 numMergedOcc 0
12 mol 59 unq 7 iso 0 dist 9.0756 8.67492 5.81747 10.7027 9.00229 10.9658 8.50782 8.11934 6.8954 5.43926 numMergedOcc 0
13 mol 59 unq 8 iso 0 dist 6.83083 6.36602 4.67917 10.3198 8.05508 5.29688 5.27239 8.11934 9.75263 12.2118 numMergedOcc 0
14 mol 59 unq 9 iso 0 dist 6.83083 6.36602 4.67917 9.44066 9.00229 11.0325 5.27239 8.11934 9.75263 5.43926 numMergedOcc 0
15 mol 59 unq 10 iso 0 dist 6.83083 3.98162 5.81747 10.3198 8.05508 12.0007 5.27239 8.11934 6.8954 12.2118 numMergedOcc 0
16 mol 59 unq 11 iso 0 dist 6.83083 3.98162 5.81747 9.44066 9.00229 10.9658 5.27239 8.11934 6.8954 5.43926 numMergedOcc 0
17 mol 81 unq 0 iso 0 dist 9.1024 4.79903 5.96486 9.71929 9.08307 5.65355 5.92534 6.22059 3.55079 6.08849 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.9065 16.0236 8.06034 10.7105 5.17585 5.48442 8.88381 8.12196 11.2738 6.68847 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.52341 8.57385 7.72434 6.96368 7.91337 12.3603 9.20679 8.04669 4.05728 12.378 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 9.52341 8.57385 7.72434 6.96368 7.91337 12.3603 9.58565 7.46162 3.26359 12.5595 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 9.52341 8.57385 7.72434 6.46673 6.40546 6.0968 9.20679 8.04669 4.05728 8.87718 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 9.52341 8.57385 7.72434 6.46673 6.40546 6.0968 9.58565 7.46162 3.26359 4.72999 numMergedOcc 0
23 mol 132 unq 0 iso 0 dist 7.40347 4.22914 8.883 8.33357 8.7366 12.3669 4.80402 5.25894 7.23769 6.6218 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 6.58221 11.3596 8.44483 14.8472 9.46833 14.0747 5.8138 7.43598 10.2769 12.6178 numMergedOcc 0
25 mol 169 unq 1 iso 0 dist 6.58221 11.6029 9.79864 14.8472 9.46833 11.1911 5.8138 7.43598 6.4492 12.6178 numMergedOcc 0
26 mol 169 unq 2 iso 0 dist 6.58221 10.4615 9.73241 14.8472 9.46833 9.31064 5.8138 7.43598 8.31124 12.6178 numMergedOcc 0
27 mol 187 unq 0 iso 0 dist 5.95841 8.44179 7.81168 10.643 9.36086 12.368 5.50745 5.14547 5.9319 6.93763 numMergedOcc 0
28 mol 251 unq 0 iso 0 dist 6.70168 5.78162 8.89433 4.68707 9.228 7.37036 6.29674 6.32455 3.43331 8.56132 numMergedOcc 0
29 mol 251 unq 1 iso 0 dist 6.70168 5.78162 8.89433 8.26465 7.4878 8.64172 6.29674 6.32455 3.43331 7.703 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 9.81603 6.32057 8.35169 13.3056 7.53641 8.04474 14.6452 8.25719 11.6201 9.6563 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 9.81603 11.9071 7.7557 13.3056 7.53641 9.00118 14.6452 8.25719 3.41551 9.6563 numMergedOcc 0
