0 mol 33 unq 0 iso 0 dist 8.87925 9.45316 4.13966 10.9259 10.0772 8.45145 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.9795 8.58689 5.83941 3.93024 12.1279 8.87977 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 9.9795 7.82214 5.46695 3.93024 12.1279 9.43843 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 9.9795 7.82214 5.46695 14.3352 9.90583 7.67463 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 8.60857 5.52502 3.99091 7.98584 11.7315 9.60854 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 6.34542 9.76075 6.3561 6.87591 5.98809 7.24101 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 5.06555 6.21509 4.98499 8.14689 6.42623 9.43682 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 5.06555 6.21509 4.98499 5.74365 8.95899 8.0564 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.44195 5.7306 4.66975 15.1721 12.0207 9.82522 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 6.44195 5.7306 4.66975 11.1637 10.7623 8.50773 numMergedOcc 0
10 mol 154 unq 2 iso 0 dist 7.34207 5.7306 9.20471 15.1721 18.5217 9.82522 numMergedOcc 0
11 mol 154 unq 3 iso 0 dist 7.34207 5.7306 9.20471 11.1637 17.2262 8.50773 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 9.66837 8.71292 10.2936 10.6578 17.704 9.56702 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 7.9895 4.74768 8.42327 5.60897 12.3647 7.33178 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 6.53913 4.74768 8.09332 5.60897 5.36671 7.33178 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 7.70631 6.18166 4.91336 5.15513 10.2521 9.10527 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.25882 6.254 6.16939 12.0078 14.4427 9.66947 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 9.25882 6.254 6.16939 3.30102 8.26637 5.69652 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 5.82039 9.1579 6.13816 12.4707 9.4629 7.51798 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 6.22964 9.1579 9.20417 12.4707 15.3729 7.51798 numMergedOcc 0
20 mol 217 unq 0 iso 0 dist 7.58097 8.57319 11.9372 5.14513 11.9577 9.04156 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 7.91348 6.38041 5.8401 11.2711 15.3925 9.84342 numMergedOcc 0
22 mol 252 unq 1 iso 0 dist 7.91348 6.38041 5.8401 5.45887 8.55044 8.63893 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 9.80409 9.00616 15.4874 13.7748 18.8601 7.8647 numMergedOcc 0
24 mol 285 unq 0 iso 0 dist 9.82717 6.02774 6.40962 13.5711 6.71946 7.8605 numMergedOcc 0
