0 mol 26 unq 0 iso 0 dist 8.99751 9.90986 5.29055 10.7581 7.22361 10.2012 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.99751 9.90986 5.29055 6.77783 6.15893 9.06516 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.44507 9.90986 4.76998 6.77783 5.497 9.06516 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.25567 9.22183 6.64374 10.6733 7.22361 13.1993 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 8.25567 9.22183 6.64374 4.82659 6.15893 6.79475 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 5.31016 8.0072 4.23447 5.14132 6.73801 7.29079 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 5.84625 8.85156 10.5604 10.3974 7.6481 17.4106 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 5.84625 8.85156 10.5604 9.80755 9.11258 13.8436 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.94696 5.08983 3.92737 9.47873 6.0129 4.44979 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.6005 9.87191 3.82942 8.76048 7.35992 10.5436 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 7.6005 9.87191 3.82942 5.79458 6.49383 10.1719 numMergedOcc 0
11 mol 116 unq 2 iso 0 dist 8.7583 9.21528 3.82942 11.4263 7.35992 10.5436 numMergedOcc 0
12 mol 116 unq 3 iso 0 dist 8.7583 9.21528 3.82942 9.91115 6.49383 10.1719 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.4733 5.90003 10.3622 6.02826 7.26955 6.55202 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 5.49198 9.13697 6.06606 5.90631 6.93279 5.52149 numMergedOcc 0
15 mol 146 unq 0 iso 0 dist 7.13378 6.93154 8.9669 10.9218 9.44952 16.2854 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.14629 8.77904 8.91275 4.0737 7.80054 10.5288 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 9.14629 6.48993 5.95858 4.0737 7.80054 7.30954 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 8.90876 9.23064 12.6805 6.39941 7.60254 13.1712 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 8.90876 7.30338 4.02702 6.39941 7.60254 7.06851 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 8.13947 9.48766 5.66395 4.04021 9.82588 9.32333 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.83113 4.97796 5.39432 5.95459 9.20749 6.66172 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 6.60049 7.78796 3.92782 7.69175 5.7131 6.1905 numMergedOcc 0
