0 mol 26 unq 0 iso 0 dist 6.25761 5.03531 6.00253 5.19563 9.03539 6.99742 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.02604 5.03531 5.60099 5.19563 8.50339 6.99742 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.06419 8.6127 11.7849 6.97983 14.1954 9.25424 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.06419 9.25005 12.5711 6.97983 14.1954 7.69101 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 8.06419 9.25005 12.5711 10.4068 17.8766 9.57665 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.34695 7.18148 13.1197 14.234 19.6667 9.03391 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.65949 8.86914 8.61134 9.45587 13.0536 5.42296 numMergedOcc 0
7 mol 56 unq 1 iso 0 dist 4.76164 8.86914 6.21444 9.45587 9.50913 5.42296 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 7.55911 5.43108 9.92636 5.99547 12.4658 5.81267 numMergedOcc 0
9 mol 99 unq 1 iso 0 dist 7.55911 5.43108 9.92636 7.07694 10.5518 9.23584 numMergedOcc 0
10 mol 99 unq 2 iso 0 dist 7.55911 5.43108 9.92636 5.22642 12.0034 9.10744 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 4.65525 6.10125 7.92829 9.32932 10.142 8.22067 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 4.65525 6.10125 7.92829 9.02445 12.0073 8.90564 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 6.32577 6.10125 3.37658 9.32932 10.4352 8.22067 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 6.32577 6.10125 3.37658 9.02445 11.8317 8.90564 numMergedOcc 0
15 mol 165 unq 0 iso 0 dist 7.29604 6.74196 11.0913 6.65314 13.5365 9.74517 numMergedOcc 0
16 mol 165 unq 1 iso 0 dist 9.21329 6.72652 11.0913 6.45283 13.5365 9.74517 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 8.71253 5.84589 5.23012 9.22637 13.2994 8.19749 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 5.42362 9.59909 6.93198 11.091 10.6591 8.54425 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 6.2083 8.54895 6.51841 7.95543 10.983 9.48951 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 9.46797 9.02882 9.10431 6.25775 12.1445 9.08606 numMergedOcc 0
