0 mol 41 unq 0 iso 0 dist 9.59131 8.45063 13.911 9.08934 13.3754 4.68793 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.49487 8.72833 5.13524 4.61096 11.4701 8.54845 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 4.67917 5.41134 6.07398 5.29688 8.05508 9.05547 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.81747 8.61357 6.07398 12.0007 8.05508 9.05547 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 6.88924 5.41134 4.58297 5.29688 10.7085 9.05547 numMergedOcc 0
5 mol 59 unq 3 iso 0 dist 6.81975 8.61357 4.58297 12.0007 10.7085 9.05547 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 9.44364 7.28815 4.29097 6.53623 10.0915 8.21553 numMergedOcc 0
7 mol 71 unq 1 iso 0 dist 9.44364 7.28815 4.29097 5.67157 12.0578 8.22762 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 9.57953 8.1375 4.36597 8.44658 4.99966 7.55805 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 9.16999 8.58317 4.42983 4.70935 9.42513 7.73139 numMergedOcc 0
10 mol 127 unq 1 iso 0 dist 9.16999 5.52891 5.88232 4.02121 10.0998 6.65963 numMergedOcc 0
11 mol 127 unq 2 iso 0 dist 9.16999 5.52891 5.88232 4.70935 9.42513 8.62711 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.80041 9.92685 5.11455 10.5415 10.9469 9.05626 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 8.883 9.00166 16.0548 4.90475 11.8382 6.2403 numMergedOcc 0
14 mol 132 unq 1 iso 0 dist 8.883 9.00166 16.0548 6.34266 14.3811 8.34869 numMergedOcc 0
15 mol 132 unq 2 iso 0 dist 8.883 7.16287 7.68244 4.90475 11.8382 6.495 numMergedOcc 0
16 mol 132 unq 3 iso 0 dist 8.883 7.16287 7.68244 6.34266 14.3811 9.43748 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 8.64946 5.9962 9.5993 4.58263 12.1776 8.96061 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 7.10223 7.63904 7.10961 5.5065 6.23399 9.04554 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 6.91762 5.16143 7.64573 5.01007 4.44292 8.66709 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 7.5447 6.89529 12.8414 4.12904 11.6021 6.56115 numMergedOcc 0
21 mol 163 unq 1 iso 0 dist 9.04757 6.89529 13.739 4.12904 9.63873 6.56115 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 8.59783 6.20851 5.24208 9.22906 6.07091 6.01711 numMergedOcc 0
23 mol 185 unq 0 iso 0 dist 7.92501 9.83898 14.5353 13.2401 20.5716 9.03315 numMergedOcc 0
24 mol 185 unq 1 iso 0 dist 7.92501 9.83898 14.5353 4.83776 9.878 9.59096 numMergedOcc 0
25 mol 185 unq 2 iso 0 dist 8.27418 9.83898 9.5349 13.2401 17.3997 9.03315 numMergedOcc 0
26 mol 185 unq 3 iso 0 dist 8.27418 9.83898 9.5349 4.83776 9.21149 9.59096 numMergedOcc 0
27 mol 188 unq 0 iso 0 dist 9.5523 9.4789 10.2256 4.04545 10.1087 7.95028 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 9.718 5.33103 7.38779 3.84723 11.8313 6.53736 numMergedOcc 0
29 mol 210 unq 1 iso 0 dist 9.718 9.01301 7.88141 3.84723 11.8313 8.18851 numMergedOcc 0
30 mol 210 unq 2 iso 0 dist 8.61629 5.33103 8.44804 3.84723 10.4825 6.53736 numMergedOcc 0
31 mol 210 unq 3 iso 0 dist 8.61629 9.01301 6.935 3.84723 10.4825 8.18851 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 8.37512 9.52903 11.3847 14.2753 17.8721 9.67877 numMergedOcc 0
33 mol 258 unq 1 iso 0 dist 8.37512 9.52903 11.3847 7.52881 10.3938 8.81059 numMergedOcc 0
34 mol 258 unq 2 iso 0 dist 8.37512 9.52903 11.3847 12.3042 13.2881 9.12006 numMergedOcc 0
35 mol 294 unq 0 iso 0 dist 8.89372 5.71656 10.8049 5.57606 13.284 8.52208 numMergedOcc 0
