0 mol 33 unq 0 iso 0 dist 5.65377 7.15141 6.08005 6.1939 8.94949 7.00648 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 5.59128 10.303 5.02241 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 9.48877 8.25651 10.5017 7.51049 13.5586 8.75946 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 7.3098 5.09688 5.06206 10.6273 12.2876 8.72704 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.90038 9.91446 11.7157 7.39527 13.0621 4.76815 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 9.90038 9.26343 5.06206 11.6898 12.2876 8.72704 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 6.70767 7.6461 6.93652 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.71654 4.93035 4.37081 6.70767 11.0806 6.93652 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 12.8521 15.6754 8.61331 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 8.86262 6.31492 4.61382 5.37421 8.91389 6.73313 numMergedOcc 0
10 mol 182 unq 1 iso 0 dist 7.23874 6.31492 8.09718 5.37421 10.2707 6.73313 numMergedOcc 0
11 mol 182 unq 2 iso 0 dist 6.06892 7.8621 11.8631 13.0784 18.0769 6.73313 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 5.08722 9.06306 5.69131 6.32328 8.6925 8.45368 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 10.2333 12.3097 7.18041 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 6.43416 5.52981 6.75711 6.48676 12.1616 7.17547 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 6.43416 6.22077 9.70376 6.21463 12.4141 9.50586 numMergedOcc 0
16 mol 218 unq 3 iso 0 dist 6.43416 6.22077 9.70376 6.48676 12.1616 7.13323 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 7.24101 7.2527 10.2134 14.0776 13.6646 9.90142 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 7.24101 7.13194 5.88384 14.751 12.3291 9.29858 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 8.84212 6.93507 5.0425 5.63238 10.7504 8.96876 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 5.63238 10.7504 8.83735 numMergedOcc 0
21 mol 249 unq 2 iso 0 dist 7.10933 6.93507 6.45919 5.63238 12.1665 8.96876 numMergedOcc 0
22 mol 249 unq 3 iso 0 dist 7.10933 6.42827 8.71871 5.63238 12.1665 8.83735 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 5.90175 4.96568 4.75685 6.67645 7.74463 6.34034 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 8.07221 7.90792 12.8251 6.63358 11.4221 7.32347 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.26294 7.28096 11.2095 9.67343 14.9743 7.04472 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.32031 11.6096 6.4778 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 7.26294 7.28096 11.2095 9.67343 14.9743 7.04472 numMergedOcc 0
28 mol 288 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.32031 11.6096 6.4778 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.26294 7.28096 11.2095 9.67343 14.9743 7.04472 numMergedOcc 0
30 mol 289 unq 1 iso 0 dist 7.26294 7.28096 11.2095 6.32031 11.6096 6.4778 numMergedOcc 0
