0 mol 7 unq 0 iso 0 dist 8.00249 6.3236 7.67927 8.75465 4.80709 6.1206 15.0884 14.1836 13.2247 9.87885 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 11.3204 5.75711 6.21799 11.4864 12.952 7.04035 9.74228 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.20886 10.5933 7.66093 11.3204 5.75711 6.21799 13.0773 12.1131 8.24309 7.12321 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 9.20886 10.5933 7.66093 12.3271 5.26077 5.03251 15.4881 13.336 5.8486 9.56773 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 6.1991 4.16047 5.75428 8.57607 6.27231 8.27883 8.68514 10.0848 6.59884 7.7152 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 5.96246 4.16047 8.57395 8.57607 11.734 8.27883 8.68514 14.2618 6.59884 7.7152 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 6.37954 6.70343 5.2571 5.90686 9.81956 8.40073 5.10496 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.91797 9.41666 7.54889 6.37954 6.70343 5.2571 11.2946 10.8223 9.42358 5.92242 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 5.91797 9.41666 7.54889 6.37954 6.70343 5.2571 9.57791 7.78931 5.02887 8.7497 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 5.91797 9.57791 7.78931 6.37954 6.70343 8.7497 5.90686 9.81956 10.2427 5.10496 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 5.91797 9.57791 7.78931 6.37954 6.70343 8.7497 11.2946 10.8223 13.9786 5.92242 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 5.91797 9.57791 7.78931 6.37954 6.70343 8.7497 9.41666 7.54889 5.02887 5.2571 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 6.37954 9.41666 5.2571 5.91797 6.70343 7.54889 15.3018 14.0897 13.659 9.64383 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 6.37954 9.41666 5.2571 5.91797 6.70343 7.54889 9.57791 8.7497 5.02887 7.78931 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 6.37954 9.57791 8.7497 5.91797 6.70343 7.78931 15.3018 14.0897 14.591 9.64383 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 6.37954 9.57791 8.7497 5.91797 6.70343 7.78931 9.41666 5.2571 5.02887 7.54889 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.59103 8.36322 6.29161 10.3079 7.49425 7.86666 19.3937 15.7676 17.2949 9.77497 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 12.5218 11.044 9.42082 14.8263 13.4105 7.69052 6.39384 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.76446 6.47007 6.42772 13.9337 7.62195 9.10524 16.417 11.8779 14.069 9.00918 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 6.14652 5.83782 8.69531 7.07625 11.0808 6.81259 9.33094 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 7.76446 14.3375 8.70621 13.3347 6.05407 5.35237 16.417 11.8779 6.90348 7.99477 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 6.14652 10.4858 8.69531 7.76446 5.83782 9.1998 6.47007 9.70973 11.6064 6.42772 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 6.14652 10.4858 8.69531 7.76446 5.83782 9.1998 14.3375 10.3432 7.09823 8.70621 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 9.83462 5.65129 8.9192 9.4275 3.55572 6.59889 10.5295 9.27706 7.65448 6.70693 numMergedOcc 0
24 mol 207 unq 0 iso 0 dist 7.25953 5.6688 5.12567 9.05688 6.07936 6.0563 10.6526 10.4761 5.99308 9.98372 numMergedOcc 0
25 mol 207 unq 1 iso 0 dist 7.25953 5.6688 5.12567 11.8798 10.1734 8.1244 10.6526 10.4761 5.99308 9.1528 numMergedOcc 0
26 mol 207 unq 2 iso 0 dist 9.05688 10.6526 9.98372 11.8798 4.66347 9.1528 5.6688 6.0563 5.99308 8.1244 numMergedOcc 0
27 mol 207 unq 3 iso 0 dist 9.05688 5.6688 6.0563 11.8798 4.66347 8.1244 10.6526 9.98372 5.99308 9.1528 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.92276 6.19292 6.29377 10.3067 4.8835 8.19317 6.83244 5.70635 7.218 5.1823 numMergedOcc 0
29 mol 235 unq 1 iso 0 dist 6.92276 6.83244 5.70635 10.3067 4.8835 5.1823 6.19292 6.29377 7.218 8.19317 numMergedOcc 0
30 mol 235 unq 2 iso 0 dist 8.75776 11.041 6.29377 11.507 4.8835 8.19317 7.64039 5.70635 7.218 5.1823 numMergedOcc 0
31 mol 235 unq 3 iso 0 dist 8.75776 7.64039 5.70635 11.507 4.8835 5.1823 11.041 6.29377 7.218 8.19317 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 7.88009 5.90394 5.46926 5.80061 3.39114 5.13913 9.57081 8.9682 7.08227 6.92711 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 7.88009 9.57081 8.9682 5.80061 3.39114 6.92711 5.90394 5.46926 7.08227 5.13913 numMergedOcc 0
34 mol 277 unq 2 iso 0 dist 5.80061 5.90394 5.13913 7.88009 3.39114 5.46926 13.3794 11.4389 7.69449 9.57499 numMergedOcc 0
35 mol 277 unq 3 iso 0 dist 5.80061 5.90394 5.13913 7.88009 3.39114 5.46926 9.57081 6.92711 7.08227 8.9682 numMergedOcc 0
36 mol 277 unq 4 iso 0 dist 5.80061 9.57081 6.92711 7.88009 3.39114 8.9682 13.3794 11.4389 11.8268 9.57499 numMergedOcc 0
37 mol 277 unq 5 iso 0 dist 5.80061 9.57081 6.92711 7.88009 3.39114 8.9682 5.90394 5.13913 7.08227 5.46926 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 11.097 9.14614 8.38121 9.6377 10.1532 11.8061 9.90967 numMergedOcc 0
