0 mol 56 unq 0 iso 0 dist 9.78177 15.7106 8.98797 14.4015 5.07125 6.43007 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 7.03635 6.41609 8.98797 4.67834 5.07125 6.43007 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.23849 14.3205 8.80104 3.89663 8.05514 11.8533 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 6.4776 6.71645 8.80104 12.6908 8.05514 11.8533 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 9.73011 4.96361 6.48531 7.78799 9.16452 4.36469 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 7.95949 9.47947 8.69209 13.2727 9.86664 5.55865 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.16531 14.3084 7.85041 6.38065 7.8435 12.1673 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.16531 14.3084 7.85041 9.63231 5.99269 7.30779 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.16531 14.3084 7.85041 13.1685 5.71763 9.18194 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.98593 12.7552 7.85041 16.5618 7.8435 12.1673 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.98593 12.7552 7.85041 14.6083 5.99269 7.30779 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.98593 12.7552 7.85041 4.18667 5.71763 9.18194 numMergedOcc 0
12 mol 105 unq 0 iso 0 dist 8.5972 5.03194 7.20953 6.79366 7.44838 4.67929 numMergedOcc 0
13 mol 105 unq 1 iso 0 dist 7.29506 6.10266 7.20953 4.59356 7.44838 4.67929 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 7.00443 10.0831 7.53158 7.59527 9.82982 12.9875 numMergedOcc 0
15 mol 154 unq 1 iso 0 dist 7.00443 6.40897 7.43407 7.59527 9.82982 11.8727 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 6.64084 8.64445 6.39981 9.87921 6.11331 9.88872 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 7.92844 7.56699 9.79691 9.93408 6.34234 10.5776 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 7.92844 7.56699 9.79691 4.3166 7.87972 4.18074 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.7062 16.424 9.83885 9.57152 7.53395 13.4094 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 5.6524 6.06056 6.4829 13.7436 9.14831 15.1464 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.20514 10.1922 7.39624 4.54444 8.21997 6.2381 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.61091 10.3017 7.35569 11.9278 8.7414 9.99177 numMergedOcc 0
23 mol 250 unq 0 iso 0 dist 7.78686 12.8497 8.70484 10.3335 7.22664 9.91231 numMergedOcc 0
24 mol 250 unq 1 iso 0 dist 7.78686 12.8497 8.70484 6.0168 7.15762 8.25599 numMergedOcc 0
25 mol 270 unq 0 iso 0 dist 6.24324 7.58893 6.31869 4.67018 7.39185 4.4142 numMergedOcc 0
26 mol 270 unq 1 iso 0 dist 6.24324 7.58893 6.31869 9.16677 8.20158 3.98629 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 7.63525 6.72596 6.94131 9.23419 5.4307 4.42663 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 9.56438 6.70116 8.23056 5.75039 5.8304 6.25207 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 9.56438 6.70116 8.23056 15.4744 7.37478 10.8722 numMergedOcc 0
