0 mol 0 unq 0 iso 0 dist 6.28506 4.16512 6.31889 7.79297 5.14913 6.91778 11.7303 11.903 9.15528 7.65806 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.42607 10.4181 9.52695 6.49709 5.8961 5.96346 5.51815 10.2486 6.86684 4.61088 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 6.48746 5.40109 6.23138 9.56181 4.96726 9.97159 7.70414 8.99491 6.21578 9.67592 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.39759 10.2731 9.18898 8.3558 4.52119 6.95572 15.1474 11.8917 9.50382 7.4729 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.39759 10.2731 9.18898 8.3558 4.52119 6.95572 8.66262 9.79361 7.56363 6.82344 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 6.39759 4.66752 7.67331 8.3558 4.52119 7.38677 15.1474 11.8917 12.7565 7.4729 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 6.39759 4.66752 7.67331 8.3558 4.52119 7.38677 8.66262 9.79361 5.91004 6.82344 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.82522 11.756 9.49995 12.3834 5.69671 9.49454 18.2173 12.5791 13.3662 9.03572 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 6.82522 11.756 9.49995 12.3834 5.69671 9.49454 20.005 13.9545 12.0666 8.83255 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 6.82522 11.756 9.49995 12.3834 5.69671 9.49454 14.1188 9.65047 11.4333 8.03644 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 9.89353 5.04455 9.49995 6.86713 5.69671 9.49454 10.3731 12.5791 13.3662 9.03572 numMergedOcc 0
11 mol 95 unq 4 iso 0 dist 9.89353 5.04455 9.49995 6.86713 5.69671 9.49454 7.4052 13.9545 12.0666 8.83255 numMergedOcc 0
12 mol 95 unq 5 iso 0 dist 9.89353 5.04455 9.49995 6.86713 5.69671 9.49454 9.70895 9.65047 11.4333 8.03644 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 7.92498 5.60987 5.37302 12.6882 14.0364 9.66219 12.8626 10.783 8.42718 5.86073 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 8.7347 11.4029 8.97111 11.0723 4.84035 6.30546 8.50279 8.32241 6.0268 6.06638 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.26722 5.05981 6.16862 8.66715 12.7925 9.22232 14.0905 18.2779 16.0138 7.11802 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 8.78 13.1776 6.16862 18.8347 12.7925 9.22232 22.9908 18.2779 16.0138 7.11802 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 5.63173 5.14992 7.31633 8.95433 5.36939 7.56378 11.0811 10.8427 6.61891 7.11802 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.99093 5.30632 5.66363 13.6386 9.47799 8.90963 11.1724 9.86845 8.91338 9.1374 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.99093 5.30632 5.66363 13.6386 9.47799 8.90963 12.6022 13.0329 9.81073 5.98885 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.99093 5.30632 5.66363 13.6386 9.47799 8.90963 10.817 14.039 9.34211 9.15386 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 5.29176 9.11934 8.62191 18.1131 18.2283 9.68728 13.1388 14.9107 7.67571 7.10633 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 5.29176 9.11934 8.62191 18.1131 18.2283 9.68728 17.6805 18.4353 10.8573 8.51516 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 5.91079 5.68053 5.86419 6.11505 4.78067 4.8668 9.35174 13.2374 9.13652 9.61492 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 5.91079 5.68053 5.86419 6.11505 4.78067 4.8668 11.3225 9.34594 5.8535 7.45763 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 6.62404 7.03806 7.4513 11.8036 8.0303 6.59716 12.0174 10.6535 7.11498 9.23153 numMergedOcc 0
26 mol 220 unq 1 iso 0 dist 9.37847 4.69654 7.4513 11.1368 8.0303 6.59716 9.89208 10.6535 7.11498 9.23153 numMergedOcc 0
27 mol 223 unq 0 iso 0 dist 7.30699 6.34447 7.81769 12.2486 8.78003 7.48463 18.0694 16.8669 11.8654 8.77153 numMergedOcc 0
28 mol 223 unq 1 iso 0 dist 7.30699 6.34447 7.81769 12.2486 8.78003 7.48463 11.17 13.1127 6.05524 8.6166 numMergedOcc 0
29 mol 223 unq 2 iso 0 dist 9.5073 6.34447 7.66694 12.2486 5.33327 7.48463 18.0694 13.9834 11.8654 8.77153 numMergedOcc 0
30 mol 223 unq 3 iso 0 dist 9.5073 6.34447 7.66694 12.2486 5.33327 7.48463 11.17 11.478 6.05524 8.6166 numMergedOcc 0
