0 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 10.3214 3.63758 7.15542 11.5119 5.62671 8.22812 6.88863 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.48328 12.3188 8.96151 10.3214 3.63758 8.89047 11.5119 5.62671 4.22002 6.88863 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 9.48328 9.72788 9.02535 10.3214 3.63758 8.89003 11.5119 5.62671 5.77855 6.88863 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.39335 13.0405 8.61143 16.3249 9.6123 8.97888 18.6828 11.9667 8.79979 3.46486 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 11.0683 6.35602 7.69926 11.7875 15.509 9.78707 13.5979 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 8.15861 6.17121 7.04244 11.0683 6.35602 5.85237 13.154 10.1082 7.07839 3.88489 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 8.15861 6.17121 7.04244 11.0683 6.35602 5.85237 13.0359 10.1757 9.09711 7.33192 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 8.15861 6.17121 7.04244 11.0683 6.35602 5.85237 13.6468 11.3346 7.91193 5.78841 numMergedOcc 0
8 mol 85 unq 4 iso 0 dist 8.15861 6.17121 7.04244 11.0683 6.35602 5.85237 11.7875 15.509 9.63449 13.5979 numMergedOcc 0
9 mol 85 unq 5 iso 0 dist 8.15861 6.17121 7.04244 12.9446 10.5854 9.11768 13.0359 10.1757 9.09711 15.5226 numMergedOcc 0
10 mol 85 unq 6 iso 0 dist 8.15861 6.17121 7.04244 12.9446 10.5854 9.11768 13.6468 11.3346 7.91193 12.2858 numMergedOcc 0
11 mol 85 unq 7 iso 0 dist 8.15861 6.17121 7.04244 12.9446 10.5854 9.11768 11.7875 15.509 9.63449 10.0606 numMergedOcc 0
12 mol 85 unq 8 iso 0 dist 8.15861 6.17121 7.04244 12.9446 10.5854 9.11768 13.154 10.1082 7.07839 9.22202 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 6.33923 3.83194 4.91212 7.42431 6.34994 9.06601 9.9801 6.13173 9.74162 8.26306 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 9.9801 3.83194 9.74162 7.42431 8.26306 9.06601 6.33923 6.13173 4.91212 6.34994 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.44 7.68828 4.49669 9.57352 6.54263 8.99912 8.47634 2.75715 5.88896 3.92558 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 8.47634 7.68828 5.88896 9.57352 3.92558 8.99912 9.44 2.75715 4.49669 6.54263 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 5.56598 8.24077 7.84207 8.20009 5.61274 6.42623 9.65403 5.26524 6.98791 3.35803 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 5.39792 5.56137 7.84207 8.14799 5.61274 6.42623 8.44206 5.26524 6.98791 3.35803 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 8.44206 5.56137 6.98791 8.14799 3.35803 6.42623 5.39792 5.26524 7.84207 5.61274 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 7.00542 7.75617 7.84207 10.7317 5.61274 6.42623 9.78884 5.26524 6.98791 3.35803 numMergedOcc 0
21 mol 120 unq 4 iso 0 dist 9.78884 7.75617 6.98791 10.7317 3.35803 6.42623 7.00542 5.26524 7.84207 5.61274 numMergedOcc 0
22 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 14.3936 12.5368 8.111 16.4685 10.2185 5.56127 12.2105 numMergedOcc 0
23 mol 123 unq 1 iso 0 dist 9.72421 11.8396 8.03692 14.3936 12.5368 8.111 15.2739 13.0033 5.36214 6.21159 numMergedOcc 0
24 mol 123 unq 2 iso 0 dist 8.09682 3.61945 5.56127 9.99727 12.2105 8.111 8.35926 10.2185 8.03692 12.5368 numMergedOcc 0
25 mol 123 unq 3 iso 0 dist 8.09682 3.61945 5.56127 9.99727 12.2105 8.111 7.41568 8.29136 5.36214 6.21159 numMergedOcc 0
26 mol 123 unq 4 iso 0 dist 8.35926 3.61945 8.03692 9.99727 12.5368 8.111 8.09682 10.2185 5.56127 12.2105 numMergedOcc 0
27 mol 123 unq 5 iso 0 dist 8.35926 3.61945 8.03692 9.99727 12.5368 8.111 7.41568 13.0033 5.36214 6.21159 numMergedOcc 0
28 mol 123 unq 6 iso 0 dist 7.41568 3.61945 5.36214 9.99727 6.21159 8.111 8.09682 8.29136 5.56127 12.2105 numMergedOcc 0
29 mol 123 unq 7 iso 0 dist 7.41568 3.61945 5.36214 9.99727 6.21159 8.111 8.35926 13.0033 8.03692 12.5368 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 5.39386 3.75216 3.82583 7.4653 7.06219 8.39897 5.79819 3.00464 5.19116 4.19634 numMergedOcc 0
31 mol 147 unq 1 iso 0 dist 5.39386 3.75216 3.82583 7.95564 6.04074 9.03078 5.79819 3.00464 5.19116 6.24579 numMergedOcc 0
32 mol 147 unq 2 iso 0 dist 5.79819 3.75216 5.19116 7.4653 4.19634 8.39897 5.39386 3.00464 3.82583 7.06219 numMergedOcc 0
33 mol 147 unq 3 iso 0 dist 5.79819 3.75216 5.19116 7.95564 6.24579 9.03078 5.39386 3.00464 3.82583 6.04074 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 5.28746 13.005 9.9965 20.699 18.7228 9.29666 16.8016 11.938 7.80711 14.5358 numMergedOcc 0
35 mol 281 unq 0 iso 0 dist 7.43535 3.86368 7.90368 7.04661 12.8596 5.50053 9.80393 12.7734 6.69267 5.19196 numMergedOcc 0
