0 mol 5 unq 0 iso 0 dist 5.63302 5.8674 7.64769 10.6845 6.98653 8.87945 4.55639 3.50411 8.68577 10.4477 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.63302 5.8674 7.64769 10.6845 6.98653 8.87945 5.70163 4.84696 9.70883 9.22937 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 4.55639 5.8674 8.68577 10.6845 10.4477 8.87945 5.63302 3.50411 7.64769 6.98653 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 4.55639 5.8674 8.68577 10.6845 10.4477 8.87945 5.70163 5.30421 9.70883 9.22937 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 5.70163 5.8674 9.70883 10.6845 9.22937 8.87945 5.63302 4.84696 7.64769 6.98653 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 5.70163 5.8674 9.70883 10.6845 9.22937 8.87945 4.55639 5.30421 8.68577 10.4477 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 8.96154 11.9912 8.53424 19.0345 16.4255 9.2146 8.90935 3.70336 7.08766 16.0765 numMergedOcc 0
7 mol 28 unq 1 iso 0 dist 8.96154 11.9912 8.53424 19.0345 16.4255 9.2146 11.1365 5.1533 4.82199 13.6412 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 8.90935 11.9912 7.08766 19.0345 16.0765 9.2146 8.96154 3.70336 8.53424 16.4255 numMergedOcc 0
9 mol 28 unq 3 iso 0 dist 8.90935 11.9912 7.08766 19.0345 16.0765 9.2146 11.1365 3.0988 4.82199 13.6412 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 9.13786 3.30907 9.63882 9.26667 3.08756 8.67216 8.56807 6.09772 6.87277 3.30447 numMergedOcc 0
11 mol 30 unq 1 iso 0 dist 8.56807 3.30907 6.87277 9.26667 3.30447 8.67216 9.13786 6.09772 9.63882 3.08756 numMergedOcc 0
12 mol 30 unq 2 iso 0 dist 8.28218 9.23676 9.63882 9.99577 3.08756 8.67216 11.2583 6.09772 6.87277 3.30447 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 7.78518 5.76412 5.37439 9.62418 4.10953 7.7927 11.3308 3.69391 8.3714 5.70353 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 7.78518 5.76412 5.37439 9.62418 4.10953 7.7927 11.8714 8.61401 6.36817 11.246 numMergedOcc 0
15 mol 48 unq 2 iso 0 dist 7.78518 5.76412 5.37439 8.91316 5.46483 6.17378 11.3308 3.69391 8.3714 7.86518 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 7.78518 5.76412 5.37439 8.91316 5.46483 6.17378 11.8714 8.61401 6.36817 9.92075 numMergedOcc 0
17 mol 63 unq 0 iso 0 dist 7.73753 5.98039 8.14512 6.8848 4.73277 8.78414 10.8484 13.0286 9.13228 10.1907 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 8.46167 4.62493 5.31126 6.03035 9.59189 8.67025 6.13175 5.7147 4.49669 10.1118 numMergedOcc 0
19 mol 113 unq 1 iso 0 dist 8.46167 4.62493 5.31126 6.03035 9.59189 8.67025 4.34107 8.09465 6.00221 8.19901 numMergedOcc 0
20 mol 113 unq 2 iso 0 dist 8.46167 6.47997 7.16619 8.76512 13.8379 9.60127 6.13175 5.7147 5.88896 8.39067 numMergedOcc 0
21 mol 113 unq 3 iso 0 dist 6.13175 4.62493 4.49669 6.03035 10.1118 8.67025 8.46167 5.7147 5.31126 9.59189 numMergedOcc 0
22 mol 113 unq 4 iso 0 dist 6.13175 4.62493 4.49669 6.03035 10.1118 8.67025 4.34107 3.74304 6.00221 8.19901 numMergedOcc 0
23 mol 113 unq 5 iso 0 dist 6.13175 6.47997 5.88896 8.76512 8.39067 9.60127 8.46167 5.7147 7.16619 13.8379 numMergedOcc 0
24 mol 113 unq 6 iso 0 dist 4.34107 4.62493 6.00221 6.03035 8.19901 8.67025 8.46167 8.09465 5.31126 9.59189 numMergedOcc 0
25 mol 113 unq 7 iso 0 dist 4.34107 4.62493 6.00221 6.03035 8.19901 8.67025 6.13175 3.74304 4.49669 10.1118 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 9.43682 6.10769 6.98791 13.7072 4.5296 9.98772 13.9772 5.7181 9.31385 3.28697 numMergedOcc 0
27 mol 169 unq 0 iso 0 dist 9.39809 6.05322 5.10589 14.4267 9.60496 8.6961 8.38775 5.23644 4.63336 10.5251 numMergedOcc 0
28 mol 169 unq 1 iso 0 dist 9.39809 6.05322 5.10589 14.4267 9.60496 8.6961 10.8457 7.52063 6.10715 8.67112 numMergedOcc 0
29 mol 169 unq 2 iso 0 dist 8.38775 6.05322 4.63336 14.4267 10.5251 8.6961 9.39809 5.23644 5.10589 9.60496 numMergedOcc 0
30 mol 169 unq 3 iso 0 dist 8.38775 6.05322 4.63336 14.4267 10.5251 8.6961 10.8457 3.74306 6.10715 8.67112 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 9.64977 13.3603 7.25595 9.61582 3.60793 8.17928 12.4852 6.13455 4.87942 4.79079 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 9.07582 13.7118 8.66082 10.8044 3.14057 9.59928 17.4495 10.5332 7.96338 8.88633 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 9.07582 13.7118 8.66082 14.1692 7.87816 7.70062 17.4495 10.5332 7.96338 3.64285 numMergedOcc 0
34 mol 214 unq 2 iso 0 dist 8.62183 14.3245 8.66082 11.0186 3.14057 9.59928 18.5137 10.5332 7.96338 8.88633 numMergedOcc 0
35 mol 214 unq 3 iso 0 dist 8.62183 14.3245 8.66082 15.4821 7.87816 7.70062 18.5137 10.5332 7.96338 3.64285 numMergedOcc 0
36 mol 254 unq 0 iso 0 dist 5.44351 5.14008 7.85841 9.43831 8.8967 5.6417 6.34051 3.15539 9.20109 10.929 numMergedOcc 0
37 mol 254 unq 1 iso 0 dist 5.44351 5.14008 7.85841 10.8963 9.42679 7.42831 6.34051 3.15539 9.20109 10.706 numMergedOcc 0
38 mol 254 unq 2 iso 0 dist 6.34051 5.14008 9.20109 9.43831 10.929 5.6417 5.44351 3.15539 7.85841 8.8967 numMergedOcc 0
39 mol 254 unq 3 iso 0 dist 6.34051 5.14008 9.20109 10.8963 10.706 7.42831 5.44351 3.15539 7.85841 9.42679 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 8.53393 13.7573 7.8598 11.379 3.14784 7.72861 7.24165 3.00605 7.80711 5.95721 numMergedOcc 0
41 mol 266 unq 1 iso 0 dist 8.53393 10.0357 8.25286 11.379 3.14784 8.20376 12.316 5.76129 6.96692 3.68488 numMergedOcc 0
42 mol 266 unq 2 iso 0 dist 8.53393 10.0357 8.25286 11.379 3.14784 8.20376 7.24165 3.00605 9.9965 5.95721 numMergedOcc 0
43 mol 266 unq 3 iso 0 dist 7.24165 13.7573 7.80711 11.379 5.95721 7.72861 8.53393 3.00605 7.8598 3.14784 numMergedOcc 0
44 mol 266 unq 4 iso 0 dist 7.24165 10.0357 9.9965 11.379 5.95721 8.20376 12.316 8.75066 6.96692 3.68488 numMergedOcc 0
45 mol 266 unq 5 iso 0 dist 7.24165 10.0357 9.9965 11.379 5.95721 8.20376 8.53393 3.00605 8.25286 3.14784 numMergedOcc 0
