0 mol 11 unq 0 iso 0 dist 5.95165 5.51164 6.40513 10.5071 8.68293 12.8569 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.95165 5.51164 6.40513 9.80646 6.84216 5.83448 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.7435 5.42831 6.97875 9.79134 8.01262 11.7637 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 5.7435 5.42831 6.97875 8.98102 6.58046 5.63105 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.10899 11.042 6.85305 12.1168 9.99939 16.2037 numMergedOcc 0
5 mol 36 unq 0 iso 0 dist 8.13896 7.71418 6.29647 5.68155 5.79779 4.28628 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 8.91902 5.57378 8.31114 8.04676 9.28702 4.19648 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 9.23023 5.00649 9.99029 15.9532 7.91148 17.7256 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.23023 5.00649 9.99029 14.6188 6.59794 15.9158 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 9.23023 5.00649 9.99029 15.1992 8.34957 17.574 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 9.81306 8.99891 5.08025 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.97921 12.2516 9.89142 10.0292 7.93088 7.86779 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 9.63873 13.739 6.56115 14.9742 9.90947 6.99664 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 9.63873 13.739 6.56115 13.5948 8.16252 4.09125 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 8.14096 11.1988 8.58946 3.86842 9.86868 11.6251 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 8.14096 11.1988 8.58946 7.27404 6.83528 6.39898 numMergedOcc 0
16 mol 167 unq 2 iso 0 dist 8.43038 5.44954 8.58946 13.2021 9.86868 11.6251 numMergedOcc 0
17 mol 167 unq 3 iso 0 dist 8.43038 5.44954 8.58946 3.92405 6.83528 6.39898 numMergedOcc 0
18 mol 167 unq 4 iso 0 dist 9.87966 9.15105 8.58946 15.8191 9.86868 11.6251 numMergedOcc 0
19 mol 167 unq 5 iso 0 dist 9.87966 9.15105 8.58946 6.18329 6.83528 6.39898 numMergedOcc 0
20 mol 167 unq 6 iso 0 dist 5.59806 5.30254 7.83781 5.09728 5.36671 8.2701 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 9.78438 5.59897 7.0119 10.3421 9.4629 6.18377 numMergedOcc 0
22 mol 206 unq 1 iso 0 dist 9.36079 14.2215 8.73396 12.9317 4.51255 6.30581 numMergedOcc 0
23 mol 206 unq 2 iso 0 dist 7.42904 11.233 8.73396 10.8126 4.51255 6.30581 numMergedOcc 0
24 mol 218 unq 0 iso 0 dist 8.5119 5.55907 9.88212 6.03974 6.1896 10.5477 numMergedOcc 0
25 mol 218 unq 1 iso 0 dist 8.5119 5.55907 9.88212 8.65933 6.09255 11.445 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 9.55777 12.6689 8.69148 9.08651 5.1609 7.53235 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 7.67598 6.78978 8.43264 8.46364 4.80903 5.24147 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 9.73983 11.7215 8.50313 10.4014 8.24356 4.0136 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 9.73983 13.4973 7.6414 10.4014 8.24356 4.30068 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 8.59986 6.31111 7.72749 9.9168 8.97531 6.91113 numMergedOcc 0
