0 mol 46 unq 0 iso 0 dist 9.98353 8.55202 10.3583 4.53545 14.3555 9.9787 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.52763 7.93171 9.4516 7.82856 15.268 9.2898 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.02034 7.32064 8.76068 7.17843 11.0964 6.85523 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 6.02034 7.32064 8.76068 13.1649 14.7464 8.65848 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 6.02034 5.85007 11.6562 7.17843 11.0964 5.77326 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 6.77808 4.62314 8.76068 4.4651 11.0964 6.85523 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 6.77808 4.62314 8.76068 9.31889 14.7464 8.65848 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 6.77808 6.35234 11.6562 4.4651 11.0964 5.77326 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.57712 9.43496 12.6233 9.56471 14.7733 7.06939 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.79844 6.67635 6.54844 10.0698 14.2617 7.86666 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 9.79844 6.67635 6.54844 11.8455 6.31633 9.77497 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 6.30128 4.77996 5.96497 4.34071 9.67907 5.56994 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.44788 9.10803 6.14609 12.7349 8.53368 9.77575 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 8.63018 8.09774 4.79473 5.56946 6.29026 5.51197 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.71223 6.52441 10.2318 11.7795 17.3239 7.2793 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.46728 8.56975 12.4194 9.23693 5.24313 9.12776 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.46728 8.56975 12.4194 9.18011 16.0821 9.72188 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 7.97113 4.95855 10.2743 5.41945 12.2198 5.85442 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 7.97113 4.95855 10.2743 5.59901 10.0766 6.9899 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 7.97113 7.72489 11.46 12.1767 18.4456 9.46361 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 7.97113 7.72489 11.46 5.41945 12.2198 6.95511 numMergedOcc 0
21 mol 259 unq 4 iso 0 dist 5.22111 4.95855 7.06301 5.41945 7.93997 5.85442 numMergedOcc 0
22 mol 259 unq 5 iso 0 dist 5.22111 4.95855 7.06301 5.59901 9.52383 6.9899 numMergedOcc 0
23 mol 259 unq 6 iso 0 dist 5.22111 7.72489 7.80863 12.1767 13.8509 9.46361 numMergedOcc 0
24 mol 259 unq 7 iso 0 dist 5.22111 7.72489 7.80863 5.41945 7.93997 6.95511 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 9.8799 9.13546 11.217 11.5671 15.9893 9.19754 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 9.8799 9.13546 11.217 13.8765 17.8973 8.29262 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 9.52454 8.89714 9.32473 8.50795 14.0852 6.31969 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 8.26851 4.97796 5.9397 4.56913 6.00877 6.4611 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 8.14634 4.97796 4.89003 4.56913 8.66451 6.4611 numMergedOcc 0
