0 mol 79 unq 0 iso 0 dist 7.58743 9.0655 8.0318 10.782 4.9582 7.62846 numMergedOcc 0
1 mol 108 unq 0 iso 0 dist 9.14068 5.29491 9.91024 5.52402 4.91593 8.1971 numMergedOcc 0
2 mol 108 unq 1 iso 0 dist 9.14068 9.40297 5.60118 5.52402 4.91593 7.84262 numMergedOcc 0
3 mol 108 unq 2 iso 0 dist 9.14068 9.40297 5.60118 7.57593 6.23415 9.29208 numMergedOcc 0
4 mol 108 unq 3 iso 0 dist 7.90433 5.49549 9.91024 6.79804 4.91593 8.1971 numMergedOcc 0
5 mol 108 unq 4 iso 0 dist 7.90433 5.53105 5.60118 6.79804 4.91593 7.84262 numMergedOcc 0
6 mol 108 unq 5 iso 0 dist 7.90433 5.53105 5.60118 11.4269 6.23415 9.29208 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 9.10803 10.872 6.39945 9.44788 6.14609 9.22776 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 9.10803 12.1048 7.14258 10.4104 7.30818 9.95698 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 5.82945 6.44931 6.98077 14.896 11.6668 9.63012 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 5.56446 5.05068 7.11411 6.32669 7.13673 7.83578 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 7.55497 6.24447 8.3656 11.5086 8.51158 6.58752 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 7.62236 6.17821 8.44633 11.443 8.45996 6.62442 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.18289 9.45075 7.7734 9.71223 5.32701 8.43722 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 6.50724 9.63971 6.06003 16.7067 10.9574 9.09845 numMergedOcc 0
15 mol 207 unq 1 iso 0 dist 6.50724 9.63971 6.06003 14.1188 9.63901 9.50021 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 7.96523 9.67509 5.68578 8.68803 3.80345 9.05655 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 7.23526 8.22925 8.89351 10.831 4.01968 9.66498 numMergedOcc 0
18 mol 257 unq 0 iso 0 dist 8.70029 6.26147 5.81865 9.22391 11.9011 6.75578 numMergedOcc 0
19 mol 257 unq 1 iso 0 dist 8.70029 6.26147 5.81865 13.8599 13.924 9.29499 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 7.27503 10.5646 7.88296 15.8491 10.9782 9.07261 numMergedOcc 0
21 mol 268 unq 0 iso 0 dist 9.60966 3.5334 8.87653 10.0659 9.31001 8.8897 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 8.89714 12.565 5.63226 10.5115 8.83577 7.97117 numMergedOcc 0
