0 mol 29 unq 0 iso 0 dist 5.36278 9.64034 5.97852 5.3571 9.78134 14.8532 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 5.36278 8.26334 11.1943 5.3571 9.78134 5.09702 numMergedOcc 0
2 mol 29 unq 2 iso 0 dist 7.50258 6.04161 5.97852 12.1835 9.78134 14.8532 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.53081 6.68961 5.93341 12.665 7.34325 12.4519 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.53081 6.68961 5.93341 14.1985 6.42037 12.1989 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.06188 7.78899 4.55422 5.75684 8.3491 11.0597 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 6.70095 9.73556 6.98415 5.86191 8.56916 13.0995 numMergedOcc 0
7 mol 66 unq 0 iso 0 dist 8.68658 7.3084 3.7783 5.64923 8.65033 9.6145 numMergedOcc 0
8 mol 66 unq 1 iso 0 dist 8.68658 7.3084 3.7783 4.23816 7.8807 8.32859 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 6.22441 6.21094 6.42891 6.65805 9.72782 12.6437 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 6.22441 6.21094 6.42891 9.24705 8.81954 13.9543 numMergedOcc 0
11 mol 87 unq 2 iso 0 dist 6.22441 8.44482 10.8407 6.65805 9.72782 15.013 numMergedOcc 0
12 mol 87 unq 3 iso 0 dist 6.22441 8.44482 10.8407 9.24705 8.81954 17.4145 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 9.96635 9.53944 5.47558 7.76298 7.68074 11.4226 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 9.96635 9.53944 5.47558 8.17573 9.1854 9.10671 numMergedOcc 0
15 mol 170 unq 0 iso 0 dist 8.10386 8.82169 5.03109 11.6479 9.66676 8.75024 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 7.36571 5.77035 6.62595 7.56199 7.75405 11.6201 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 9.17137 5.77035 12.1003 7.56199 7.49971 11.6201 numMergedOcc 0
18 mol 192 unq 2 iso 0 dist 9.17137 5.77035 12.1003 9.186 9.07427 14.8237 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 5.61326 7.75518 4.3166 7.83764 8.84149 6.396 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 9.87574 7.7619 4.58443 8.69902 9.40433 9.91727 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.43519 5.63283 10.4922 6.31671 7.53734 6.40171 numMergedOcc 0
22 mol 223 unq 0 iso 0 dist 8.87456 7.5808 13.1129 13.934 9.94483 19.1508 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.15119 9.91103 13.1828 6.65084 6.42951 7.16209 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 8.15119 7.0603 10.6994 6.65084 6.42951 4.62936 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.14859 7.19568 5.93557 13.8618 8.43856 14.2829 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 7.14859 7.19568 5.93557 13.8618 8.43856 14.2829 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.14859 7.19568 5.93557 13.8618 8.43856 14.2829 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 5.83342 9.53621 4.65271 7.60595 9.63325 13.2905 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 5.83342 9.53621 4.65271 6.03488 8.67283 11.1485 numMergedOcc 0
30 mol 292 unq 2 iso 0 dist 5.83342 9.24101 5.90311 7.60595 9.63325 10.186 numMergedOcc 0
31 mol 292 unq 3 iso 0 dist 5.83342 9.24101 5.90311 6.03488 8.67283 7.89938 numMergedOcc 0
