0 mol 73 unq 0 iso 0 dist 9.94312 12.3047 6.8173 16.9052 10.1233 7.37171 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 9.94312 12.3047 6.8173 12.4858 4.49951 8.62079 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 6.41105 6.65892 9.27633 14.2584 12.4767 9.07128 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 4.85152 7.81379 9.22123 5.90776 6.82886 4.17838 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 8.97683 9.59418 9.45247 14.0808 8.6616 9.10911 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 9.98097 5.76787 7.43587 13.5907 5.42993 9.3273 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 5.1557 6.61855 5.79144 14.3662 13.1936 8.04118 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 5.1557 6.61855 5.79144 13.2109 12.288 8.39035 numMergedOcc 0
8 mol 142 unq 2 iso 0 dist 9.5355 5.19808 5.79144 7.15087 13.1936 8.04118 numMergedOcc 0
9 mol 142 unq 3 iso 0 dist 9.5355 5.19808 5.79144 10.5719 12.288 8.39035 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 4.95086 5.14383 8.62135 6.87299 5.90364 6.73617 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 8.39524 14.0428 8.62135 14.1227 5.90364 6.73617 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 7.21636 4.52353 8.78397 10.743 13.1754 6.79114 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.03259 8.21964 6.19329 6.58792 5.07895 9.70481 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 9.81282 9.83347 4.77438 11.2247 5.25981 9.1139 numMergedOcc 0
15 mol 183 unq 1 iso 0 dist 9.81282 5.14341 5.73344 11.2247 5.25981 9.20677 numMergedOcc 0
16 mol 199 unq 0 iso 0 dist 7.29716 6.58405 9.2815 9.30897 4.26752 8.72831 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 8.63896 6.09153 8.27156 12.206 9.0084 9.9868 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 9.35766 6.10294 9.137 7.26981 9.56248 5.77511 numMergedOcc 0
19 mol 253 unq 1 iso 0 dist 9.35766 6.10294 9.137 13.2486 16.4324 9.27311 numMergedOcc 0
20 mol 253 unq 2 iso 0 dist 9.35766 5.04216 8.0127 7.26981 9.56248 7.81382 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 8.34471 4.2886 9.33223 8.40766 9.45618 8.03012 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.2772 5.5217 8.75224 11.8092 13.3027 8.25897 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 8.19772 11.5884 6.80043 15.2065 7.8929 5.7944 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 9.94705 10.2664 8.23254 6.36173 4.54581 6.09853 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.42812 3.60894 9.48076 9.02254 12.7618 5.72327 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 9.42812 3.60894 9.48076 7.07459 13.8339 5.81301 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 9.42812 3.60894 9.48076 11.6237 16.0093 9.81201 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 9.9227 9.17893 8.87017 8.80588 4.95798 6.01897 numMergedOcc 0
