0 mol 2 unq 0 iso 0 dist 8.54182 5.58715 5.5745 4.8518 8.5893 8.75089 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 8.54182 5.58715 5.5745 7.12473 8.29974 8.39246 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 4.97954 9.6925 9.96265 11.5072 9.38647 14.5995 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.17977 5.03832 8.05508 7.57949 8.11934 12.2118 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 6.17977 6.31331 9.00229 7.57949 8.11934 5.43926 numMergedOcc 0
5 mol 59 unq 2 iso 0 dist 9.0756 7.72666 8.05508 8.50782 8.11934 12.2118 numMergedOcc 0
6 mol 59 unq 3 iso 0 dist 9.0756 10.7027 9.00229 8.50782 8.11934 5.43926 numMergedOcc 0
7 mol 59 unq 4 iso 0 dist 6.83083 10.3198 8.05508 5.27239 8.11934 12.2118 numMergedOcc 0
8 mol 59 unq 5 iso 0 dist 6.83083 9.44066 9.00229 5.27239 8.11934 5.43926 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 9.1024 9.71929 9.08307 5.92534 6.22059 6.08849 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 8.48295 11.0049 8.86252 9.6737 8.6176 7.03963 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.9065 10.7105 5.17585 8.88381 8.12196 6.68847 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.52341 6.96368 7.91337 9.20679 8.04669 12.378 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.52341 6.96368 7.91337 9.58565 7.46162 12.5595 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 9.52341 6.46673 6.40546 9.20679 8.04669 8.87718 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 9.52341 6.46673 6.40546 9.58565 7.46162 4.72999 numMergedOcc 0
16 mol 132 unq 0 iso 0 dist 7.40347 8.33357 8.7366 4.80402 5.25894 6.6218 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 7.5179 9.26656 5.59806 5.91574 6.00793 6.38496 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 8.01303 5.361 5.59806 6.52044 6.00793 6.38496 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.58221 14.8472 9.46833 5.8138 7.43598 12.6178 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.83021 11.0897 7.80299 8.14015 9.21553 5.04574 numMergedOcc 0
21 mol 187 unq 0 iso 0 dist 5.95841 10.643 9.36086 5.50745 5.14547 6.93763 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 6.70168 4.68707 9.228 6.29674 6.32455 8.56132 numMergedOcc 0
23 mol 251 unq 1 iso 0 dist 6.70168 8.26465 7.4878 6.29674 6.32455 7.703 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 8.99476 12.1831 5.75596 15.2655 9.61379 5.56576 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 8.99476 6.04039 9.11438 15.2655 9.61379 11.0334 numMergedOcc 0
26 mol 292 unq 2 iso 0 dist 8.99476 4.27448 8.37867 15.2655 9.61379 14.0848 numMergedOcc 0
27 mol 292 unq 3 iso 0 dist 9.81603 13.3056 7.53641 14.6452 8.25719 9.6563 numMergedOcc 0
