0 mol 7 unq 0 iso 0 dist 8.8576 4.44694 5.51421 5.83293 6.8464 6.769 10.4545 8.41585 10.6104 5.0893 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.34549 11.0672 9.7522 8.23892 9.80897 4.21886 4.76147 8.34347 15.0931 12.8257 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.34549 11.0672 9.7522 5.19532 8.37225 8.25891 4.76147 8.34347 15.0931 8.70636 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.09068 15.3987 9.7522 14.6126 9.80897 4.21886 6.30129 8.34347 15.0931 12.8257 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.09068 15.3987 9.7522 9.51004 8.37225 8.25891 6.30129 8.34347 15.0931 8.70636 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 9.72289 18.4863 9.7522 17.2928 9.80897 4.21886 5.93227 8.34347 15.0931 12.8257 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 9.72289 18.4863 9.7522 12.8246 8.37225 8.25891 5.93227 8.34347 15.0931 8.70636 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 11.3388 8.03754 4.99287 15.1595 8.80331 11.0096 14.0204 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.47617 12.345 8.38387 11.3388 8.03754 4.99287 8.14351 6.20293 11.8286 13.1056 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 8.64872 10.8989 6.95595 9.2905 9.20448 4.18109 10.4239 7.79912 12.7957 14.2474 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 8.64872 10.8989 6.95595 9.2905 9.20448 4.18109 12.0967 8.56639 10.309 12.103 numMergedOcc 0
11 mol 75 unq 2 iso 0 dist 8.64872 10.8989 6.95595 9.2905 9.20448 4.18109 9.60759 8.59017 5.80162 5.76778 numMergedOcc 0
12 mol 75 unq 3 iso 0 dist 8.64872 10.8989 6.95595 9.39059 6.96759 4.01868 10.4239 7.79912 12.7957 13.8905 numMergedOcc 0
13 mol 75 unq 4 iso 0 dist 8.64872 10.8989 6.95595 9.39059 6.96759 4.01868 12.0967 8.56639 10.309 12.899 numMergedOcc 0
14 mol 75 unq 5 iso 0 dist 8.64872 10.8989 6.95595 9.39059 6.96759 4.01868 9.60759 8.59017 5.80162 8.41332 numMergedOcc 0
15 mol 75 unq 6 iso 0 dist 8.64872 10.8989 6.95595 4.6252 6.97318 6.54389 10.4239 7.79912 12.7957 11.2774 numMergedOcc 0
16 mol 75 unq 7 iso 0 dist 8.64872 10.8989 6.95595 4.6252 6.97318 6.54389 12.0967 8.56639 10.309 11.0206 numMergedOcc 0
17 mol 75 unq 8 iso 0 dist 8.64872 10.8989 6.95595 4.6252 6.97318 6.54389 9.60759 8.59017 5.80162 6.56982 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 8.054 4.79314 6.78949 8.9579 8.75778 4.24711 9.57532 8.37808 7.54208 9.00329 numMergedOcc 0
19 mol 122 unq 1 iso 0 dist 8.054 5.45124 9.40018 8.9579 8.75778 13.7131 9.57532 8.37808 11.0216 9.00329 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 8.94909 6.45157 5.86531 6.14253 9.47554 4.98521 8.76089 7.11802 6.26797 5.34829 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 8.94909 6.45157 5.86531 6.14253 9.47554 4.98521 6.80087 8.00618 9.73435 9.67676 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 9.0847 11.6766 8.07256 13.0972 8.41774 4.81561 14.8573 8.56324 10.4039 13.1435 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 9.0847 11.6766 8.07256 13.0972 8.41774 4.81561 8.41711 6.70283 11.1874 13.793 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 9.0847 11.6766 8.07256 13.0972 8.41774 4.81561 4.82496 7.16148 8.36099 11.2124 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 7.94694 16.3384 9.36079 4.45877 8.11407 15.9979 5.1071 7.7366 13.6173 7.72969 numMergedOcc 0
26 mol 206 unq 1 iso 0 dist 7.94694 13.2408 7.42904 4.45877 8.11407 13.397 5.1071 7.7366 9.96254 7.72969 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 8.47457 10.5366 8.46129 5.39078 8.80858 6.32111 5.15333 6.65832 6.31508 4.46743 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.47457 10.5366 8.46129 5.39078 8.80858 6.32111 8.1404 6.60589 5.72088 4.93626 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 8.47457 10.5366 8.46129 5.39078 8.80858 6.32111 15.1783 9.16166 6.51315 11.8641 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.64889 14.9226 9.29635 10.6345 4.81916 12.5633 15.4648 9.7748 10.8075 7.94155 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 7.63115 9.73504 7.74162 14.2998 9.24472 6.30894 5.82892 9.70696 9.5773 13.0364 numMergedOcc 0
