0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.88805 5.99459 8.81608 10.2446 7.88043 7.45262 8.0744 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 6.36911 6.06176 6.88805 5.99459 8.81608 12.3097 8.80762 6.96586 11.7002 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 7.31201 10.789 13.156 9.67164 14.144 5.44992 5.72491 9.55056 8.0744 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 7.31201 10.789 13.156 9.67164 14.144 4.74523 9.67579 7.57354 11.7002 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 9.36807 10.515 13.156 9.67164 8.81608 5.44992 5.72491 7.45262 8.0744 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 7.10621 9.36807 10.515 13.156 9.67164 8.81608 4.74523 9.67579 6.96586 11.7002 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.57077 6.33889 11.4878 8.69454 8.55451 12.6418 11.0722 8.83269 9.82483 9.64222 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 11.0722 8.83269 9.82483 8.17486 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 5.69214 7.95042 11.8884 6.00575 6.60423 8.62284 4.47891 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 4.00553 9.08221 10.1478 11.3547 12.7784 7.93481 15.126 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 9.4099 9.73139 5.24906 8.55984 9.08221 10.1478 11.9834 12.7784 7.93481 15.126 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 6.19965 9.47876 11.6116 4.41789 7.7068 10.7558 4.18004 10.255 8.87194 5.95654 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.66905 7.22293 11.6116 5.59906 7.7068 10.7558 8.42713 10.255 8.87194 5.95654 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 6.11741 6.99777 10.8292 6.07067 6.39384 12.9982 7.3094 10.9734 9.9928 10.5109 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 7.88312 6.99777 11.7126 11.835 7.69765 16.7897 7.3094 5.72642 9.9928 7.27912 numMergedOcc 0
15 mol 115 unq 2 iso 0 dist 7.88312 6.99777 11.7126 6.07067 9.42082 12.9982 7.3094 5.72642 9.9928 10.5109 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 12.7179 17.7572 9.05798 13.2984 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 4.91132 8.56342 5.85818 6.29394 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 9.87172 6.19042 6.35763 6.20019 6.99446 6.13374 7.61939 7.99857 9.87025 6.29394 numMergedOcc 0
19 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 9.15779 15.5802 9.05798 13.2984 numMergedOcc 0
20 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 7.61939 7.99857 5.85818 6.29394 numMergedOcc 0
21 mol 119 unq 5 iso 0 dist 6.18601 8.43904 10.3457 4.39676 8.95212 6.13374 10.326 14.6439 9.87025 6.29394 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 4.97996 6.93139 10.1252 5.97111 8.33077 6.42785 6.76477 numMergedOcc 0
23 mol 130 unq 1 iso 0 dist 8.70949 6.89257 8.84655 4.97996 6.93139 10.1252 6.97875 10.3572 6.82089 10.6057 numMergedOcc 0
24 mol 130 unq 2 iso 0 dist 8.70949 8.74308 6.76754 4.97996 6.93139 10.5067 6.97875 10.3572 5.38314 10.6057 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 8.00618 7.92688 12.2037 15.0115 8.77023 16.243 8.6769 15.7259 9.4062 20.1161 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 11.1534 7.46481 8.70987 5.63388 6.38157 5.10114 5.73082 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 13.0113 11.9624 6.89694 5.63944 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 10.216 5.64181 6.44735 6.94907 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 7.31233 6.55759 10.4664 11.0772 9.08509 14.4363 7.83352 5.64181 8.6597 6.94907 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 7.31233 7.02475 11.2717 11.0772 9.08509 10.529 7.83352 5.64181 7.47235 6.94907 numMergedOcc 0
31 mol 238 unq 4 iso 0 dist 7.31233 7.67322 12.6986 11.0772 9.08509 9.99105 11.0349 11.9624 7.61203 5.63944 numMergedOcc 0
32 mol 238 unq 5 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 11.0349 11.9624 6.89694 5.63944 numMergedOcc 0
33 mol 238 unq 6 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 7.83352 5.64181 6.44735 6.94907 numMergedOcc 0
34 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 4.58289 9.05018 5.0345 5.99459 6.17052 8.53148 7.14182 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 11.6988 9.46361 9.43105 5.60748 10.5803 6.39918 9.55426 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 7.46176 7.48005 5.79468 10.067 5.85442 6.23661 5.60748 8.55558 6.39918 7.32929 numMergedOcc 0
37 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 11.6988 6.95511 9.43105 5.60748 8.55558 6.39918 9.55426 numMergedOcc 0
38 mol 259 unq 3 iso 0 dist 5.30224 8.37865 5.31048 4.04513 8.03219 8.84648 7.31951 8.59697 6.39918 4.67584 numMergedOcc 0
39 mol 259 unq 4 iso 0 dist 5.30224 8.37865 5.31048 7.09907 6.9899 6.23661 7.31951 8.59697 6.39918 7.32929 numMergedOcc 0
