0 mol 10 unq 0 iso 0 dist 8.03458 9.03951 11.04 5.05805 11.8872 8.00369 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.2106 9.03951 9.13852 5.05805 6.6345 8.00369 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 5.67493 10.4296 6.48232 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.58027 6.82707 12.5165 10.7046 18.2433 8.39326 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.58027 6.82707 12.5165 12.2821 18.0199 6.33741 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 4.34694 6.82707 10.5011 10.7046 14.9914 8.39326 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 4.34694 6.82707 10.5011 12.2821 16.1006 6.33741 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.70612 6.6186 5.04277 5.00872 6.40964 8.57827 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 8.51572 9.23757 8.72987 11.0252 14.798 7.71923 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.53914 9.13614 6.12935 5.02505 8.71813 6.76575 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 6.53824 9.2638 10.5909 8.61652 13.8984 8.79367 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 6.61973 9.2638 6.2875 8.61652 11.6585 8.79367 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 5.32865 8.40219 5.30729 14.4753 12.3785 7.25644 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 6.59407 6.80226 4.93161 6.62679 9.27256 7.58035 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 6.59407 6.80226 4.93161 12.1377 13.1134 8.21989 numMergedOcc 0
15 mol 162 unq 2 iso 0 dist 9.96586 8.11292 4.05981 13.9849 8.6792 8.57005 numMergedOcc 0
16 mol 162 unq 3 iso 0 dist 7.30751 8.54006 4.05981 7.2417 8.6792 8.57005 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 6.19457 6.4751 9.13204 12.6565 16.3756 7.32555 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 7.03107 8.79832 11.4777 10.1424 15.4718 5.89564 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 5.86839 6.23057 4.79372 7.04224 8.23349 8.07076 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 5.86839 6.23057 4.79372 8.43505 8.7062 5.95375 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 5.86839 6.23057 4.79372 11.501 13.0508 9.17946 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 9.89039 7.46122 9.36068 5.41948 12.6994 5.37796 numMergedOcc 0
23 mol 220 unq 1 iso 0 dist 8.57174 7.46122 15.6078 5.41948 12.3489 5.37796 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 9.24729 8.85051 9.16476 5.02022 6.86851 6.34832 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 6.77822 6.83927 4.06349 4.127 7.42469 7.38566 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 6.77822 9.25162 9.4234 4.127 7.42469 8.28466 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 8.8646 9.54381 14.5123 9.39654 17.2828 9.53943 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 6.69245 8.86801 3.93924 15.7876 12.0577 8.13034 numMergedOcc 0
29 mol 272 unq 1 iso 0 dist 7.90763 7.15093 3.93924 11.2381 12.0577 8.13034 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 8.54984 8.42086 6.45254 10.796 10.3646 8.67489 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 6.04225 8.42086 4.0078 10.796 11.097 8.67489 numMergedOcc 0
32 mol 282 unq 2 iso 0 dist 5.00258 7.84236 4.0078 13.26 11.097 8.67489 numMergedOcc 0
33 mol 282 unq 3 iso 0 dist 9.98886 7.84236 12.9261 13.26 21.1725 8.67489 numMergedOcc 0
