0 mol 43 unq 0 iso 0 dist 9.17086 6.1032 7.39848 13.3446 6.6796 8.93792 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.20523 14.6873 8.06267 15.9868 9.51008 6.7739 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 9.20523 14.6873 8.06267 21.6381 14.4889 9.7662 numMergedOcc 0
3 mol 68 unq 2 iso 0 dist 9.20523 11.7508 5.88334 15.9868 9.51008 8.3318 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.16299 11.3918 7.37171 13.0193 10.1233 6.8173 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.27015 6.29235 7.37171 12.9853 10.1233 6.8173 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 9.86547 11.7595 9.62234 20.5448 15.2881 9.15163 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 9.86547 11.7595 9.62234 11.9879 4.58101 9.70125 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.90776 7.81379 4.17838 4.85152 6.82886 9.22123 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 9.04546 9.05868 9.06601 11.4252 4.48869 8.48433 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 7.15087 5.19808 8.04118 9.5355 13.1936 5.79144 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 6.87299 5.14383 6.73617 4.95086 5.90364 8.62135 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.58792 8.21964 9.70481 8.03259 5.07895 6.19329 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 8.76932 8.72641 8.37086 11.4099 4.6678 7.06868 numMergedOcc 0
14 mol 199 unq 0 iso 0 dist 9.30897 6.58405 8.72831 11.8736 6.29819 7.49503 numMergedOcc 0
15 mol 199 unq 1 iso 0 dist 9.30897 6.58405 8.72831 7.29716 4.26752 9.2815 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.15806 8.62303 7.13783 10.4566 6.4623 5.32465 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 9.95045 15.2257 8.25985 14.5058 4.90814 9.69133 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 7.26981 6.10294 5.77511 9.35766 9.56248 9.137 numMergedOcc 0
19 mol 253 unq 1 iso 0 dist 7.26981 5.04216 7.81382 9.35766 9.56248 8.0127 numMergedOcc 0
20 mol 253 unq 2 iso 0 dist 9.02643 5.37143 5.77511 14.3711 9.56248 9.137 numMergedOcc 0
21 mol 253 unq 3 iso 0 dist 9.02643 6.92436 7.81382 14.3711 9.56248 8.0127 numMergedOcc 0
22 mol 253 unq 4 iso 0 dist 8.68368 5.37143 9.27311 14.3711 16.4324 9.137 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 8.40766 4.2886 8.03012 8.34471 9.45618 9.33223 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.57619 10.388 8.25897 14.4749 13.3027 8.75224 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 6.36173 10.2664 6.09853 9.94705 4.54581 8.23254 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 7.07459 3.60894 5.81301 9.42812 13.8339 9.48076 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 7.07459 3.60894 5.81301 10.6098 5.89928 8.04081 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 8.80588 9.17893 6.01897 9.9227 4.95798 8.87017 numMergedOcc 0
