0 mol 76 unq 0 iso 0 dist 6.63973 6.46582 3.35924 7.7047 6.14248 9.0369 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 6.63973 6.46582 3.35924 4.00834 6.97936 5.91098 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 6.63973 6.46582 3.35924 9.6911 5.00466 4.86523 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.34638 9.68556 11.0062 12.2811 6.84952 17.3819 numMergedOcc 0
4 mol 116 unq 0 iso 0 dist 9.87191 8.24233 6.16979 8.77017 8.28931 11.7697 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 9.45412 5.38983 11.7784 14.238 9.66537 18.4683 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 6.53559 7.04904 12.7725 11.236 8.85652 17.6791 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 6.53559 5.06053 10.2785 11.236 8.85652 15.0128 numMergedOcc 0
8 mol 129 unq 2 iso 0 dist 8.09774 7.84813 9.87781 5.0466 8.85652 4.4077 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 9.23064 8.97414 6.06538 5.27162 7.96541 10.8557 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 9.23064 8.00063 13.0096 5.27162 7.96541 12.8084 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 6.51523 7.06555 7.20382 5.24208 9.67711 12.1719 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 7.93715 5.05414 3.41605 8.19854 5.08603 5.5223 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 7.93715 5.05414 3.41605 4.65303 5.77035 5.03588 numMergedOcc 0
14 mol 192 unq 2 iso 0 dist 7.93715 7.16964 7.59825 8.19854 5.08603 8.00501 numMergedOcc 0
15 mol 192 unq 3 iso 0 dist 7.93715 7.16964 7.59825 4.65303 5.77035 9.37889 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 8.69512 5.66636 8.93955 7.47443 5.63283 8.83628 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 5.09181 5.28731 4.98469 6.37482 6.24134 7.08681 numMergedOcc 0
