0 mol 46 unq 0 iso 0 dist 8.99557 9.72136 8.55766 11.6888 9.14996 15.9056 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 8.99557 9.72136 8.55766 5.79552 9.47718 10.2405 numMergedOcc 0
2 mol 46 unq 2 iso 0 dist 8.99557 9.72136 8.55766 14.6072 8.9459 13.5087 numMergedOcc 0
3 mol 46 unq 3 iso 0 dist 8.99557 4.61355 5.91159 11.6888 9.14996 7.57749 numMergedOcc 0
4 mol 46 unq 4 iso 0 dist 8.99557 4.61355 5.91159 5.79552 9.47718 8.55202 numMergedOcc 0
5 mol 46 unq 5 iso 0 dist 8.99557 4.61355 5.91159 14.6072 8.9459 13.6147 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.58853 5.21993 8.22454 8.95258 9.44364 9.47964 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 6.75455 8.06358 13.5499 10.6415 9.53794 18.5697 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 6.75455 8.06358 13.5499 5.13304 9.84346 10.5822 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 6.28063 8.06358 11.2152 5.13304 9.46472 10.5822 numMergedOcc 0
10 mol 81 unq 0 iso 0 dist 9.1024 7.062 7.58448 4.79903 5.96486 8.38883 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 8.54807 9.05612 8.55456 12.9313 8.36326 15.1183 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 9.9065 6.93938 3.82552 16.0236 8.06034 9.26141 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 8.64091 8.18122 7.34791 4.81545 6.4879 10.119 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.75007 7.09831 3.75291 9.11409 8.64946 9.76097 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 6.68933 8.16428 3.81673 7.00105 8.39718 11.3897 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 6.99667 8.9694 11.5597 7.73947 8.80167 13.851 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 6.22499 8.70011 9.75492 12.5418 8.80167 18.1167 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 8.69185 9.28828 6.37079 7.41379 7.74693 12.6699 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 9.66939 6.16312 12.3906 5.61195 7.66306 11.2619 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 8.31953 5.74676 3.86293 12.5979 9.60643 11.8288 numMergedOcc 0
21 mol 278 unq 1 iso 0 dist 8.31953 5.74676 3.86293 13.4866 7.79408 11.2735 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.81603 6.01636 9.55219 6.32057 8.35169 10.6299 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 9.81603 6.01636 9.55219 11.9071 7.7557 14.7546 numMergedOcc 0
