0 mol 10 unq 0 iso 0 dist 9.03951 5.05805 8.00369 8.2106 9.13852 6.6345 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.98746 11.2391 7.03307 16.2728 13.7449 9.16411 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 4.5673 8.72181 9.32898 12.7824 11.6611 9.93479 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.18097 11.155 8.70863 20.1001 15.4112 9.27584 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 8.83135 15.3247 8.70863 18.0495 15.4112 9.27584 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 6.6186 5.00872 8.57827 7.70612 5.04277 6.40964 numMergedOcc 0
6 mol 105 unq 0 iso 0 dist 9.23757 11.0252 7.71923 16.5023 8.62526 8.66946 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.13614 5.02505 6.76575 8.53914 6.12935 8.71813 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 4.86767 8.16908 9.35942 10.3016 9.72019 5.5606 numMergedOcc 0
9 mol 151 unq 0 iso 0 dist 9.15141 11.9665 4.74531 13.7552 6.59209 7.28671 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 6.80226 6.62679 7.58035 6.59407 4.93161 9.27256 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 6.80226 12.1377 8.21989 11.8375 5.81787 4.49707 numMergedOcc 0
12 mol 162 unq 2 iso 0 dist 9.31025 7.6506 7.14263 11.9611 10.301 8.6792 numMergedOcc 0
13 mol 162 unq 3 iso 0 dist 9.0087 8.07237 7.14263 15.6132 10.301 8.6792 numMergedOcc 0
14 mol 162 unq 4 iso 0 dist 8.11292 13.9849 8.57005 9.96586 4.05981 8.6792 numMergedOcc 0
15 mol 162 unq 5 iso 0 dist 8.54006 7.2417 8.57005 7.30751 4.05981 8.6792 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.23057 7.04224 8.07076 5.86839 4.79372 8.23349 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 6.23057 8.43505 5.95375 5.86839 4.79372 8.7062 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 8.85051 5.02022 6.34832 9.24729 9.16476 6.86851 numMergedOcc 0
19 mol 230 unq 1 iso 0 dist 8.85051 5.02022 6.34832 14.5121 10.5257 9.88392 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 6.83927 4.127 7.38566 6.77822 4.06349 7.42469 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 9.25162 4.127 8.28466 6.77822 9.4234 7.42469 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 8.64133 6.46467 6.82575 13.6467 6.26121 9.51692 numMergedOcc 0
