0 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 10.4181 5.96346 6.86684 6.20956 4.73237 6.89666 10.6838 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 15.6642 7.17969 6.84017 6.16347 10.8498 12.2829 5.59268 8.88413 11.6272 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 15.6642 7.17969 15.5398 7.92503 5.30154 12.2829 5.59268 8.88413 7.05148 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 5.40109 9.97159 6.21578 6.48746 4.96726 8.99491 6.23138 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 6.86713 9.70895 8.03644 5.04455 9.49454 11.4333 9.89353 5.69671 9.65047 9.49995 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.66715 14.0905 7.11802 5.05981 9.22232 16.0138 12.5406 6.26797 5.86531 14.2733 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.66715 14.0905 7.11802 17.5205 9.22661 5.92062 12.5406 6.26797 5.86531 6.42904 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.66715 14.0905 7.11802 15.4908 7.56378 6.61891 12.5406 6.26797 5.86531 10.0298 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 8.95433 11.0811 7.11802 13.7968 9.22232 16.0138 13.6484 6.26797 5.86531 14.2733 numMergedOcc 0
9 mol 133 unq 4 iso 0 dist 8.95433 11.0811 7.11802 12.0166 9.22661 5.92062 13.6484 6.26797 5.86531 6.42904 numMergedOcc 0
10 mol 133 unq 5 iso 0 dist 8.95433 11.0811 7.11802 5.14992 7.56378 6.61891 13.6484 6.26797 5.86531 10.0298 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 12.2847 9.94764 4.57832 11.4524 6.20443 9.92932 12.1527 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.79157 13.0109 9.86662 12.2847 9.94764 4.57832 8.49649 6.36794 9.55556 11.9876 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 5.79157 14.1608 9.71307 12.2847 9.94764 5.29786 11.4524 6.20443 9.60411 12.1527 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.57514 12.397 7.45763 7.35197 4.8668 5.8535 12.7057 4.2475 6.752 7.23557 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.57514 12.397 7.45763 7.35197 4.8668 5.8535 14.4031 6.8901 5.4913 8.86587 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 6.11505 11.3225 7.45763 5.68053 4.8668 5.8535 9.86224 4.2475 6.752 7.23557 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 6.11505 11.3225 7.45763 5.68053 4.8668 5.8535 12.7533 6.8901 5.4913 8.86587 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 5.06328 7.10826 5.87279 11.8094 3.84723 8.62103 10.7279 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 6.7597 8.66332 6.65022 12.18 8.65216 8.6537 9.38362 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 8.53615 6.81165 8.22528 5.3298 8.66332 6.65022 4.38586 8.65216 8.6537 9.38362 numMergedOcc 0
21 mol 231 unq 0 iso 0 dist 6.02527 7.6832 8.40182 6.46271 7.79066 12.1512 12.2694 8.55683 8.01942 15.781 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 5.70548 9.05071 8.80479 12.0485 9.60401 9.29752 7.83422 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 7.8128 5.49043 5.4638 12.5723 9.55668 7.60081 11.9334 5.23741 8.48065 10.8785 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 8.23536 5.50714 7.4631 4.45211 7.89524 4.45049 12.5052 6.72492 8.40773 10.5164 numMergedOcc 0
25 mol 241 unq 1 iso 0 dist 8.23536 5.50714 7.4631 4.45211 7.89524 4.45049 11.2123 9.87799 9.18476 12.949 numMergedOcc 0
26 mol 241 unq 2 iso 0 dist 6.90245 5.3674 7.4631 5.69979 7.89524 4.45049 5.66945 6.72492 8.40773 10.5164 numMergedOcc 0
27 mol 241 unq 3 iso 0 dist 6.90245 5.3674 7.4631 5.69979 7.89524 4.45049 12.4569 9.87799 9.18476 12.949 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 10.9458 7.16853 5.00209 10.875 3.93713 8.19504 9.3201 numMergedOcc 0
29 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 6.24807 7.16853 5.00209 11.0689 3.93713 8.19504 9.3201 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 8.85159 9.85289 6.20558 11.0807 5.9882 9.71801 9.02071 numMergedOcc 0
