0 mol 68 unq 0 iso 0 dist 5.74389 4.6006 8.23849 10.492 8.80104 14.3205 4.62009 8.05514 3.89663 11.8533 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 5.74389 11.4038 6.4776 10.492 8.80104 6.71645 4.62009 8.05514 12.6908 11.8533 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 8.67545 3.91691 9.73011 6.82169 6.48531 4.96361 10.3685 9.16452 7.78799 4.36469 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.81334 4.16711 7.95949 5.72925 8.69209 9.47947 10.4613 9.86664 13.2727 5.55865 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.42713 9.45097 8.16531 12.5605 7.85041 14.3084 3.91263 7.8435 6.38065 12.1673 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.42713 9.45097 8.16531 12.5605 7.85041 14.3084 5.59024 5.99269 9.63231 7.30779 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.42713 9.45097 8.16531 12.5605 7.85041 14.3084 12.9872 5.71763 13.1685 9.18194 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 8.42713 16.4676 8.98593 12.5605 7.85041 12.7552 3.91263 7.8435 16.5618 12.1673 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 8.42713 16.4676 8.98593 12.5605 7.85041 12.7552 5.59024 5.99269 14.6083 7.30779 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 8.42713 16.4676 8.98593 12.5605 7.85041 12.7552 12.9872 5.71763 4.18667 9.18194 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 8.21032 13.7524 8.16531 10.878 7.85041 14.3084 15.8131 7.8435 6.38065 12.1673 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 8.21032 13.7524 8.16531 10.878 7.85041 14.3084 13.6266 5.99269 9.63231 7.30779 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 8.21032 13.7524 8.16531 10.878 7.85041 14.3084 5.17052 5.71763 13.1685 9.18194 numMergedOcc 0
13 mol 93 unq 9 iso 0 dist 8.21032 4.07972 8.98593 10.878 7.85041 12.7552 15.8131 7.8435 16.5618 12.1673 numMergedOcc 0
14 mol 93 unq 10 iso 0 dist 8.21032 4.07972 8.98593 10.878 7.85041 12.7552 13.6266 5.99269 14.6083 7.30779 numMergedOcc 0
15 mol 93 unq 11 iso 0 dist 8.21032 4.07972 8.98593 10.878 7.85041 12.7552 5.17052 5.71763 4.18667 9.18194 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 9.2042 3.82471 7.00443 12.9483 7.53158 10.0831 5.18463 9.82982 7.59527 12.9875 numMergedOcc 0
17 mol 154 unq 1 iso 0 dist 9.2042 3.82471 7.00443 9.90775 7.43407 6.40897 5.18463 9.82982 7.59527 11.8727 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 6.92225 4.86148 6.64084 5.49464 6.39981 8.64445 9.02669 6.11331 9.87921 9.88872 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 9.74081 15.929 7.61091 9.68452 7.35569 10.3017 6.94282 8.7414 11.9278 9.99177 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 9.43554 6.49284 7.78686 14.0983 8.70484 12.8497 6.9412 7.22664 10.3335 9.91231 numMergedOcc 0
21 mol 250 unq 1 iso 0 dist 9.43554 6.49284 7.78686 14.0983 8.70484 12.8497 6.56481 7.15762 6.0168 8.25599 numMergedOcc 0
22 mol 250 unq 2 iso 0 dist 9.21681 12.4291 7.78686 10.9117 8.70484 12.8497 15.9167 7.22664 10.3335 9.91231 numMergedOcc 0
23 mol 250 unq 3 iso 0 dist 9.21681 12.4291 7.78686 10.9117 8.70484 12.8497 12.9916 7.15762 6.0168 8.25599 numMergedOcc 0
24 mol 270 unq 0 iso 0 dist 8.05859 9.50342 6.24324 12.734 6.31869 7.58893 12.8011 7.39185 4.67018 4.4142 numMergedOcc 0
25 mol 270 unq 1 iso 0 dist 8.05859 9.50342 6.24324 12.734 6.31869 7.58893 12.2628 8.20158 9.16677 3.98629 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 5.63154 9.44846 9.56438 7.73611 8.23056 6.70116 3.77031 5.8304 5.75039 6.25207 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 5.63154 9.44846 9.56438 7.73611 8.23056 6.70116 9.11782 7.37478 15.4744 10.8722 numMergedOcc 0
