0 mol 18 unq 0 iso 0 dist 6.07388 4.66195 3.54066 5.66329 8.73947 8.11835 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.46305 7.07773 4.24673 8.03682 9.67624 7.34832 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 8.46304 7.90158 7.34881 7.57143 11.3939 5.70939 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.45052 9.13024 14.1026 6.98976 8.42633 9.08745 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.09964 4.5892 3.40476 10.8503 10.9811 9.21761 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 8.27773 9.67751 4.52107 10.5737 5.97918 7.71625 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 8.60686 9.4238 3.35244 10.1677 6.71858 5.31375 numMergedOcc 0
7 mol 107 unq 1 iso 0 dist 8.60686 9.4238 3.35244 10.1326 9.37159 6.49371 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 7.08664 8.0237 4.89202 7.97496 9.02925 7.54274 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.58853 6.82267 9.45081 15.5585 17.7334 9.87354 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.72803 8.41675 3.38209 5.36267 9.85884 8.49847 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 6.23725 8.84926 6.01298 14.8893 13.4567 8.7121 numMergedOcc 0
12 mol 231 unq 0 iso 0 dist 9.44142 6.8533 10.1118 9.55173 15.7578 8.48015 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 7.9267 7.14918 5.98994 6.96767 10.4678 7.97504 numMergedOcc 0
