0 mol 14 unq 0 iso 0 dist 9.70544 7.0208 5.51361 10.5465 13.4135 9.58196 12.1294 7.55622 5.53425 9.7022 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.70544 7.0208 5.51361 10.5465 13.4135 9.58196 9.64431 9.65893 4.53725 9.04767 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.10063 8.13365 6.88453 10.5449 13.0211 6.86014 17.544 16.0093 10.0952 8.86116 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 5.5483 8.99509 12.3867 8.14351 13.3384 5.73819 8.47617 12.0037 5.06502 6.20293 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 5.5483 8.99509 12.3867 8.14351 13.3384 5.73819 5.73331 6.9067 5.89973 8.93915 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 5.5483 8.47617 12.0037 8.14351 13.3384 6.20293 8.99509 12.3867 5.06502 5.73819 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 5.5483 8.47617 12.0037 8.14351 13.3384 6.20293 5.73331 6.9067 6.45462 8.93915 numMergedOcc 0
7 mol 43 unq 4 iso 0 dist 5.5483 5.73331 6.9067 8.14351 13.3384 8.93915 8.99509 12.3867 5.89973 5.73819 numMergedOcc 0
8 mol 43 unq 5 iso 0 dist 5.5483 5.73331 6.9067 8.14351 13.3384 8.93915 8.47617 12.0037 6.45462 6.20293 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.95021 7.66055 7.93761 5.76106 11.2558 6.81627 11.2215 13.2851 5.47421 7.32874 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 6.95021 7.66055 7.93761 5.76106 11.2558 6.81627 14.5289 17.2992 9.7274 9.55426 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.18095 8.27456 14.3471 9.7565 16.3694 7.27724 15.5421 21.8206 8.41707 8.03644 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 9.26609 9.60425 7.70234 5.17524 12.635 9.84395 12.6233 18.8637 13.1058 7.90328 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.13344 8.94909 6.25005 6.80087 11.4588 8.00618 12.8006 16.431 11.965 6.29155 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.13344 8.94909 6.25005 6.80087 11.4588 8.00618 9.73536 10.3485 7.79672 6.80239 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 8.72732 9.05674 15.9524 4.32516 12.9713 6.5107 12.2159 19.8715 9.56949 9.52634 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 4.95077 9.37459 12.3586 8.41711 13.03 5.87555 9.0847 11.8793 5.42328 6.70283 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 4.95077 9.37459 12.3586 8.41711 13.03 5.87555 6.00061 7.20811 5.54906 8.67331 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 4.95077 9.37459 12.3586 4.82496 9.36082 8.87437 9.0847 11.8793 5.42328 7.16148 numMergedOcc 0
19 mol 152 unq 3 iso 0 dist 4.95077 9.37459 12.3586 4.82496 9.36082 8.87437 6.00061 7.20811 5.54906 8.05741 numMergedOcc 0
20 mol 152 unq 4 iso 0 dist 4.95077 9.0847 11.8793 8.41711 13.03 6.70283 9.37459 12.3586 5.42328 5.87555 numMergedOcc 0
21 mol 152 unq 5 iso 0 dist 4.95077 9.0847 11.8793 8.41711 13.03 6.70283 6.00061 7.20811 6.4896 8.67331 numMergedOcc 0
22 mol 152 unq 6 iso 0 dist 4.95077 9.0847 11.8793 4.82496 9.36082 7.16148 9.37459 12.3586 5.42328 8.87437 numMergedOcc 0
23 mol 152 unq 7 iso 0 dist 4.95077 9.0847 11.8793 4.82496 9.36082 7.16148 6.00061 7.20811 6.4896 8.05741 numMergedOcc 0
24 mol 152 unq 8 iso 0 dist 4.95077 6.00061 7.20811 8.41711 13.03 8.67331 9.37459 12.3586 5.54906 5.87555 numMergedOcc 0
25 mol 152 unq 9 iso 0 dist 4.95077 6.00061 7.20811 8.41711 13.03 8.67331 9.0847 11.8793 6.4896 6.70283 numMergedOcc 0
26 mol 152 unq 10 iso 0 dist 4.95077 6.00061 7.20811 4.82496 9.36082 8.05741 9.37459 12.3586 5.54906 8.87437 numMergedOcc 0
27 mol 152 unq 11 iso 0 dist 4.95077 6.00061 7.20811 4.82496 9.36082 8.05741 9.0847 11.8793 6.4896 7.16148 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 9.37214 6.44896 6.34098 4.94984 11.1541 5.59424 9.74252 9.57246 5.76246 7.00794 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 9.99396 8.47457 16.607 8.1404 13.6975 6.60589 12.3857 19.3745 5.0744 6.57273 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 9.99396 8.47457 16.607 15.1783 19.4037 9.16166 12.3857 19.3745 5.0744 5.78342 numMergedOcc 0
31 mol 224 unq 2 iso 0 dist 9.99396 8.47457 16.607 15.1783 19.4037 9.16166 14.6947 20.7199 6.91102 5.81334 numMergedOcc 0
