0 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 12.3188 8.96151 6.87266 10.3214 3.63758 7.15542 8.89047 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.48328 8.11968 8.65524 9.72788 9.02535 4.62605 10.3214 3.63758 7.15542 8.89003 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 9.48328 12.3188 8.96151 8.11968 8.65524 6.87266 10.3214 3.63758 8.89047 7.15542 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 9.48328 12.3188 8.96151 9.72788 9.02535 3.23184 10.3214 3.63758 8.89047 8.89003 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 9.48328 9.72788 9.02535 8.11968 8.65524 4.62605 10.3214 3.63758 8.89003 7.15542 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 9.48328 9.72788 9.02535 12.3188 8.96151 3.23184 10.3214 3.63758 8.89003 8.89047 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 8.39335 13.0405 8.61143 11.779 9.07629 8.09729 16.3249 9.6123 8.97888 15.1757 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 6.17121 7.04244 2.58673 11.0683 6.35602 7.69926 5.85237 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 8.15861 6.17121 7.04244 3.81285 6.67137 2.58673 11.0683 6.35602 5.85237 7.69926 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.15861 6.17121 7.04244 3.81285 6.67137 2.58673 12.9446 10.5854 9.11768 9.7173 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.46616 13.1376 9.29327 3.79265 9.51764 10.241 11.1864 4.56372 8.11702 10.2832 numMergedOcc 0
11 mol 111 unq 0 iso 0 dist 6.33923 3.83194 4.91212 5.56913 9.34782 8.72808 7.42431 6.34994 9.06601 5.98809 numMergedOcc 0
12 mol 111 unq 1 iso 0 dist 6.33923 5.56913 9.34782 3.83194 4.91212 8.72808 7.42431 6.34994 5.98809 9.06601 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.44 7.68828 4.49669 12.8761 5.31126 5.7147 9.57352 6.54263 8.99912 9.6716 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 9.44 7.68828 4.49669 8.44413 6.00221 3.74304 9.57352 6.54263 8.99912 11.4818 numMergedOcc 0
15 mol 113 unq 2 iso 0 dist 8.47634 7.68828 5.88896 12.8761 7.16619 5.7147 9.57352 3.92558 8.99912 9.6716 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 5.56598 8.24077 7.84207 3.79384 8.56947 8.68088 8.20009 5.61274 6.42623 8.95899 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 5.56598 3.79384 8.56947 8.24077 7.84207 8.68088 8.20009 5.61274 8.95899 6.42623 numMergedOcc 0
18 mol 120 unq 2 iso 0 dist 5.39792 5.56137 7.84207 6.80121 8.56947 8.68088 8.14799 5.61274 6.42623 8.95899 numMergedOcc 0
19 mol 120 unq 3 iso 0 dist 5.39792 6.80121 8.56947 5.56137 7.84207 8.68088 8.14799 5.61274 8.95899 6.42623 numMergedOcc 0
20 mol 120 unq 4 iso 0 dist 8.44206 5.56137 6.98791 10.0743 9.31385 5.7181 8.14799 3.35803 6.42623 10.2878 numMergedOcc 0
21 mol 120 unq 5 iso 0 dist 7.00542 7.75617 7.84207 10.6431 8.56947 8.68088 10.7317 5.61274 6.42623 8.95899 numMergedOcc 0
22 mol 120 unq 6 iso 0 dist 7.00542 10.6431 8.56947 7.75617 7.84207 8.68088 10.7317 5.61274 8.95899 6.42623 numMergedOcc 0
23 mol 120 unq 7 iso 0 dist 9.78884 7.75617 6.98791 10.2233 9.31385 5.7181 10.7317 3.35803 6.42623 10.2878 numMergedOcc 0
24 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 3.50983 8.78115 8.77423 14.3936 12.5368 8.111 12.3048 numMergedOcc 0
25 mol 123 unq 1 iso 0 dist 8.35926 3.61945 8.03692 5.85997 8.78115 8.77423 9.99727 12.5368 8.111 12.3048 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 6.64419 8.25768 4.68125 7.4653 7.06219 8.39897 10.8483 numMergedOcc 0
27 mol 147 unq 1 iso 0 dist 5.39386 3.75216 3.82583 6.64419 8.25768 4.68125 7.95564 6.04074 9.03078 13.4973 numMergedOcc 0
28 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 6.64419 8.71702 4.68125 7.4653 4.19634 8.39897 10.8483 numMergedOcc 0
29 mol 147 unq 3 iso 0 dist 5.79819 3.75216 5.19116 6.64419 8.71702 4.68125 7.95564 6.24579 9.03078 13.4973 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 5.28746 13.005 9.9965 9.23405 6.96692 8.75066 20.699 18.7228 9.29666 17.5084 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 5.28746 13.005 9.9965 11.313 8.25286 3.00605 20.699 18.7228 9.29666 12.0003 numMergedOcc 0
