0 mol 25 unq 0 iso 0 dist 7.05148 8.27137 11.0175 6.17631 8.6653 11.4732 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.05148 8.27137 11.0175 5.59268 7.92503 4.79873 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 5.84625 8.85156 10.5604 5.40367 8.80614 10.2845 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.49995 9.70292 5.88327 5.69671 9.49454 8.57395 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 9.49995 9.59704 3.96826 5.69671 9.49454 9.85409 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.94696 5.08983 3.92737 12.4265 6.7117 9.81956 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 5.94696 5.08983 3.92737 7.1452 4.47349 7.54889 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 5.94696 5.08983 3.92737 4.96747 5.65185 7.78931 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.48774 6.67635 7.60413 11.1132 6.60933 9.65809 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 5.37302 6.12348 3.84573 14.0364 9.66219 8.80934 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.47541 7.2672 3.84573 12.1308 9.66219 8.80934 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.34823 9.10803 14.1584 5.3154 6.73586 13.6983 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 7.13378 6.93154 8.9669 8.76758 8.84535 11.1134 numMergedOcc 0
13 mol 146 unq 1 iso 0 dist 7.13378 6.93154 8.9669 6.347 8.82188 13.0837 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.14629 8.77904 8.91275 7.91498 9.67741 9.2289 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 9.14629 6.48993 5.95858 7.91498 9.67741 7.02548 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 8.90876 9.23064 12.6805 12.1014 7.44629 19.0785 numMergedOcc 0
17 mol 168 unq 1 iso 0 dist 8.90876 7.30338 4.02702 12.1014 7.44629 6.02086 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.21194 6.76574 4.88147 9.22906 9.61462 13.5 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 4.41193 6.42735 5.96423 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.80931 8.60546 5.45812 5.90604 7.36683 8.9507 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 8.80931 8.60546 5.45812 8.97729 9.26504 12.662 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 7.23557 6.41148 9.86388 4.2475 4.8668 6.49765 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 8.86587 5.06713 9.86388 6.8901 4.8668 6.49765 numMergedOcc 0
24 mol 205 unq 2 iso 0 dist 8.86587 8.69512 16.7363 6.8901 4.8668 14.2129 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 8.15381 8.79378 5.70985 5.70669 8.07687 11.3281 numMergedOcc 0
26 mol 219 unq 0 iso 0 dist 7.13099 6.52136 5.75906 5.0241 7.59632 4.33238 numMergedOcc 0
27 mol 222 unq 0 iso 0 dist 5.89818 8.86886 6.67077 4.82768 7.67576 12.0171 numMergedOcc 0
28 mol 222 unq 1 iso 0 dist 9.32543 8.86886 16.6736 4.82768 9.82371 12.0171 numMergedOcc 0
29 mol 223 unq 0 iso 0 dist 7.81769 9.6936 3.86668 8.78003 7.48463 9.33543 numMergedOcc 0
30 mol 223 unq 1 iso 0 dist 7.66694 9.36733 3.86668 5.33327 7.48463 9.33543 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 9.85454 9.85289 12.8334 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 9.02071 7.15079 9.78219 5.9882 9.85289 11.9912 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 6.60049 7.78796 3.92782 6.94727 9.88863 9.74118 numMergedOcc 0
