0 mol 12 unq 0 iso 0 dist 4.62913 7.8865 6.98179 5.85944 8.17618 13.601 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.979 6.36377 5.72175 12.4209 9.04834 11.6856 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.979 6.36377 5.72175 4.78943 8.17898 5.05803 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 7.96306 5.73067 7.46414 11.1811 8.86547 10.3882 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.41134 6.65344 6.34748 5.29688 9.05547 6.85766 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.61357 9.59244 7.43198 12.0007 9.05547 16.1832 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 9.41952 9.55751 8.94845 5.85228 6.46655 7.17396 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.34804 9.46247 11 16.4344 8.64208 17.5154 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 8.34804 9.46247 11 11.9474 7.9572 16.1699 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 13.4703 9.7754 20.0174 numMergedOcc 0
10 mol 71 unq 0 iso 0 dist 8.39608 7.35142 5.87956 4.93292 8.21553 7.38797 numMergedOcc 0
11 mol 71 unq 1 iso 0 dist 8.39608 7.35142 5.87956 9.16746 8.22762 11.7839 numMergedOcc 0
12 mol 71 unq 2 iso 0 dist 7.28815 9.50139 5.87956 6.53623 8.21553 7.38797 numMergedOcc 0
13 mol 71 unq 3 iso 0 dist 7.28815 9.50139 5.87956 5.67157 8.22762 11.7839 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.09675 8.67532 6.97502 14.4838 9.89021 16.8583 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 7.83419 9.22376 7.66905 numMergedOcc 0
16 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 4.0486 7.76275 9.36773 numMergedOcc 0
17 mol 88 unq 1 iso 0 dist 5.74637 7.86537 12.6939 4.0486 7.76275 8.31336 numMergedOcc 0
18 mol 88 unq 2 iso 0 dist 5.74637 6.35462 6.63027 4.0486 7.76275 10.3436 numMergedOcc 0
19 mol 132 unq 0 iso 0 dist 9.00166 8.7366 6.04014 4.90475 6.2403 7.7059 numMergedOcc 0
20 mol 132 unq 1 iso 0 dist 9.00166 8.7366 6.04014 6.34266 8.34869 11.5751 numMergedOcc 0
21 mol 132 unq 2 iso 0 dist 7.16287 8.7366 10.0823 4.90475 6.495 7.7059 numMergedOcc 0
22 mol 132 unq 3 iso 0 dist 7.16287 8.7366 10.0823 6.34266 9.43748 11.5751 numMergedOcc 0
23 mol 154 unq 0 iso 0 dist 7.63904 7.26897 6.03387 5.5065 9.04554 11.7355 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 7.7013 8.58906 5.52686 12.3666 6.73365 12.0591 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 7.7013 8.58906 5.52686 12.3067 9.45659 14.3157 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 7.7013 8.58906 5.52686 7.28603 9.44856 13.1497 numMergedOcc 0
27 mol 210 unq 0 iso 0 dist 5.33103 8.62103 11.5481 3.84723 6.53736 6.18308 numMergedOcc 0
28 mol 210 unq 1 iso 0 dist 9.01301 8.62103 8.72811 3.84723 8.18851 6.18308 numMergedOcc 0
29 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 11.2013 9.97357 9.99038 numMergedOcc 0
30 mol 236 unq 1 iso 0 dist 8.20542 5.66569 10.2557 4.15973 6.36941 6.27581 numMergedOcc 0
31 mol 236 unq 2 iso 0 dist 5.6568 6.11137 6.49831 9.22303 9.96011 14.3101 numMergedOcc 0
32 mol 236 unq 3 iso 0 dist 5.6568 7.89744 6.81625 9.22303 9.96011 11.6077 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 14.2753 9.67877 17.2071 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 7.52881 8.81059 6.42289 numMergedOcc 0
35 mol 258 unq 2 iso 0 dist 9.52903 5.73834 9.78068 12.3042 9.12006 10.1675 numMergedOcc 0
36 mol 271 unq 0 iso 0 dist 9.80493 9.56149 9.63302 10.4126 8.32351 15.085 numMergedOcc 0
37 mol 272 unq 0 iso 0 dist 7.38085 9.64596 4.78295 5.26991 8.82094 8.48753 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 6.28023 9.09967 5.7574 4.4049 9.81087 10.3851 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 4.4049 9.81087 12.8531 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 14.2115 9.84188 12.5685 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 10.8075 8.35794 9.7748 numMergedOcc 0
42 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 11.3154 7.13655 11.3696 numMergedOcc 0
43 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 11.3154 7.13655 11.3696 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 11.3154 7.13655 11.3696 numMergedOcc 0
45 mol 293 unq 0 iso 0 dist 6.97887 9.55282 5.67215 8.40114 8.78835 13.3844 numMergedOcc 0
46 mol 293 unq 1 iso 0 dist 6.97887 6.27435 11.4201 8.40114 8.78835 12.7742 numMergedOcc 0
