0 mol 98 unq 0 iso 0 dist 4.31067 11.3701 7.92856 16.2627 13.6536 6.5816 numMergedOcc 0
1 mol 111 unq 0 iso 0 dist 7.42431 3.83194 9.06601 6.33923 6.34994 4.91212 numMergedOcc 0
2 mol 111 unq 1 iso 0 dist 7.42431 3.83194 9.06601 9.9801 8.26306 9.74162 numMergedOcc 0
3 mol 111 unq 2 iso 0 dist 7.42431 5.56913 5.98809 6.33923 6.34994 9.34782 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.29529 3.7042 7.02367 9.68191 13.0914 7.02358 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 8.29529 12.8999 9.30832 16.8555 10.2689 9.14336 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 9.57352 7.68828 8.99912 9.44 6.54263 4.49669 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 9.57352 7.68828 8.99912 8.47634 3.92558 5.88896 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 7.55822 4.26914 8.51123 6.98134 5.49724 6.55227 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.20009 8.24077 6.42623 5.56598 5.61274 7.84207 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 8.20009 8.24077 6.42623 9.65403 3.35803 6.98791 numMergedOcc 0
11 mol 120 unq 2 iso 0 dist 8.20009 3.79384 8.95899 5.56598 5.61274 8.56947 numMergedOcc 0
12 mol 120 unq 3 iso 0 dist 8.14799 5.56137 6.42623 5.39792 5.61274 7.84207 numMergedOcc 0
13 mol 120 unq 4 iso 0 dist 8.14799 5.56137 6.42623 8.44206 3.35803 6.98791 numMergedOcc 0
14 mol 120 unq 5 iso 0 dist 8.14799 6.80121 8.95899 5.39792 5.61274 8.56947 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.054 10.2953 4.42563 13.7032 6.34716 8.565 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 9.99727 3.61945 8.111 8.09682 12.2105 5.56127 numMergedOcc 0
17 mol 123 unq 1 iso 0 dist 9.99727 3.61945 8.111 8.35926 12.5368 8.03692 numMergedOcc 0
18 mol 123 unq 2 iso 0 dist 9.99727 3.61945 8.111 7.41568 6.21159 5.36214 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 7.4653 3.75216 8.39897 5.39386 7.06219 3.82583 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 7.4653 3.75216 8.39897 5.79819 4.19634 5.19116 numMergedOcc 0
21 mol 147 unq 2 iso 0 dist 7.95564 3.75216 9.03078 5.39386 6.04074 3.82583 numMergedOcc 0
22 mol 147 unq 3 iso 0 dist 7.95564 3.75216 9.03078 5.79819 6.24579 5.19116 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.16369 12.0957 5.90765 17.0913 12.1883 7.25595 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 8.16369 12.0957 5.90765 11.5424 6.89146 9.94825 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 9.98332 15.9886 8.08471 13.0708 4.27652 7.38825 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 7.94694 5.69659 4.51255 9.97895 4.46135 6.80296 numMergedOcc 0
27 mol 206 unq 1 iso 0 dist 7.51923 5.69659 6.23183 9.97895 3.56132 6.80296 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 7.22234 12.1593 8.82761 11.793 4.67313 9.71831 numMergedOcc 0
29 mol 213 unq 1 iso 0 dist 5.86501 12.8419 8.82761 9.59581 4.67313 9.71831 numMergedOcc 0
30 mol 213 unq 2 iso 0 dist 8.48081 5.16198 9.09354 5.90026 3.62097 7.93317 numMergedOcc 0
31 mol 213 unq 3 iso 0 dist 8.48081 12.1593 4.66576 11.793 7.49785 9.71831 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 9.64889 13.4595 4.9764 14.1815 7.75371 7.98956 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 9.64889 13.6295 6.36559 14.1815 7.75371 5.86185 numMergedOcc 0
34 mol 281 unq 0 iso 0 dist 7.04661 3.86368 5.50053 7.43535 12.8596 7.90368 numMergedOcc 0
35 mol 281 unq 1 iso 0 dist 7.04661 3.86368 5.50053 9.80393 5.19196 6.69267 numMergedOcc 0
36 mol 281 unq 2 iso 0 dist 7.04661 7.4282 7.33334 11.8734 11.0049 5.33372 numMergedOcc 0
37 mol 281 unq 3 iso 0 dist 7.04661 7.4282 7.33334 9.80393 5.19196 6.56886 numMergedOcc 0
