0 mol 14 unq 0 iso 0 dist 8.79533 9.31271 16.5607 6.28466 8.23238 15.2985 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 5.90391 6.32012 5.2876 4.98191 7.18002 10.3016 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 4.85152 5.90776 6.82886 7.81379 9.22123 4.17838 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 4.85152 5.90776 6.82886 4.65469 7.36335 10.5604 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 9.1109 9.3485 7.53958 4.80201 8.83779 12.1131 numMergedOcc 0
5 mol 101 unq 1 iso 0 dist 5.51185 9.3485 4.79998 4.80201 8.91685 12.1131 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.61113 7.42187 13.5433 11.0943 9.61193 17.1106 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 7.73836 9.84673 6.42572 11.9665 9.61193 15.9196 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.8034 9.33945 8.25445 5.0614 6.94015 10.5762 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 8.51265 7.34465 13.1327 16.1482 9.80185 20.191 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 8.51265 9.47675 10.4653 16.1482 9.80185 17.2837 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 9.98097 7.97349 7.20524 5.76787 7.43587 10.0825 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 5.19808 5.79144 8.04118 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 4.95086 6.87299 5.90364 5.14383 8.62135 6.73617 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 15.4738 9.15935 10.717 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 6.67598 7.11647 5.75141 15.4738 9.15935 11.7613 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 8.98636 9.19499 8.58765 15.4738 8.24388 10.717 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 8.98636 7.11647 5.6208 15.4738 8.24388 11.7613 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 8.21964 6.19329 11.8368 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.03259 6.58792 5.07895 8.21964 6.19329 9.70481 numMergedOcc 0
20 mol 199 unq 0 iso 0 dist 7.29716 9.30897 4.26752 6.58405 9.2815 8.72831 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 4.99301 9.74059 10.9595 5.8264 6.04509 10.8517 numMergedOcc 0
22 mol 249 unq 0 iso 0 dist 6.04688 7.72708 9.50161 5.63037 7.80866 12.963 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 9.35766 7.26981 9.56248 6.10294 9.137 5.77511 numMergedOcc 0
24 mol 253 unq 1 iso 0 dist 9.35766 7.26981 9.56248 5.04216 8.0127 7.81382 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.34471 8.40766 9.45618 4.2886 9.33223 8.03012 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 9.94705 6.36173 4.54581 10.2664 8.23254 6.09853 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 9.42812 7.07459 13.8339 3.60894 9.48076 5.81301 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 9.9227 8.80588 4.95798 9.17893 8.87017 6.01897 numMergedOcc 0
