0 mol 17 unq 0 iso 0 dist 9.5937 6.53817 10.1064 7.83348 16.2549 8.70792 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.34681 6.53817 13.5023 7.83348 13.2523 8.70792 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.69637 6.85331 9.1927 7.12984 14.0493 7.49157 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.69637 6.85331 9.1927 5.31288 12.0693 7.73794 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 5.39197 12.4931 7.15542 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 9.53081 5.36645 12.299 9.53255 18.5842 8.89047 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 9.53081 5.36645 12.299 7.75132 16.4784 8.89003 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 9.06142 8.125 5.73783 5.58299 12.9604 9.94407 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 8.41264 8.125 10.7002 5.58299 13.8827 9.94407 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 7.03224 8.31114 4.33228 4.19648 9.87102 9.28702 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 6.53135 10.1913 5.77186 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.23104 5.97805 4.80228 6.09234 13.6777 9.72387 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 6.87456 5.30872 8.03483 7.33175 11.8224 8.64905 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 5.40826 7.5984 9.02772 5.08025 6.38786 8.99891 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 7.30751 8.15223 7.87851 5.92278 12.3634 8.94224 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 7.20545 8.58946 4.70374 11.6251 13.5665 9.86868 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 7.20545 8.58946 4.70374 6.39898 7.20131 6.83528 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 8.16228 7.03029 4.69892 4.40064 8.60718 5.61673 numMergedOcc 0
18 mol 174 unq 1 iso 0 dist 8.57467 7.03029 4.99043 4.40064 9.40371 5.61673 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 9.42047 7.0119 4.1887 6.18377 10.5903 9.4629 numMergedOcc 0
20 mol 212 unq 0 iso 0 dist 6.36102 7.3529 4.06334 6.05395 9.49715 9.99698 numMergedOcc 0
21 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 6.72226 10.2177 5.77749 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.10903 9.67877 13.3533 13.3447 19.4795 8.03012 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 7.25618 9.67877 15.0574 13.3447 19.2493 8.03012 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 7.58385 8.50313 6.88989 4.0136 10.3175 8.24356 numMergedOcc 0
25 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 4.0136 7.14871 8.24356 numMergedOcc 0
26 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 4.30068 7.14871 8.24356 numMergedOcc 0
27 mol 261 unq 3 iso 0 dist 9.72159 7.6414 12.864 4.30068 13.812 8.24356 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 5.11865 9.07744 9.54359 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 8.15119 8.35794 7.94155 5.11865 9.07744 5.69112 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 8.15119 8.35794 7.94155 8.46455 12.4905 7.2091 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 9.22572 8.52208 4.40208 5.13965 8.83359 7.56669 numMergedOcc 0
