0 mol 24 unq 0 iso 0 dist 5.42968 9.67461 8.23075 10.6551 6.7846 5.54419 16.1592 12.2271 8.70827 5.59311 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.42968 9.67461 8.23075 10.6551 6.7846 5.54419 10.9795 12.2839 6.73939 12.176 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.94343 9.67461 4.7841 10.6551 8.03955 5.54419 16.1592 12.6431 8.70827 5.59311 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.94343 9.67461 4.7841 10.6551 8.03955 5.54419 10.9795 6.22954 6.73939 12.176 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.58102 13.4875 7.92856 13.1899 8.29813 5.08437 16.6939 11.6496 6.65501 4.4057 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.58102 13.4875 7.92856 18.6545 13.2057 6.48948 16.6939 11.6496 6.65501 7.42446 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.58102 13.4875 7.92856 17.8637 12.7473 6.10456 16.6939 11.6496 6.65501 9.67482 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 9.00369 8.90571 5.54256 8.84131 3.48119 7.36792 14.9418 7.28191 8.31932 7.42011 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 7.25771 13.2553 9.30832 9.70016 5.46207 5.86073 17.7779 15.5674 8.8822 10.1816 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 7.25771 13.2553 9.30832 9.70016 5.46207 5.86073 15.4081 13.7232 9.66219 8.42718 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.60192 5.0535 4.76974 10.1873 4.18693 5.39945 9.81027 8.16155 6.97707 5.31484 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 4.72209 4.84308 7.13783 11.1839 13.3822 7.26832 6.79634 4.76454 5.44002 10.3603 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 8.42431 9.48802 4.51255 13.9224 7.83734 7.7366 15.1627 9.36584 6.16414 6.45859 numMergedOcc 0
13 mol 206 unq 1 iso 0 dist 8.42431 9.48802 4.51255 13.9224 7.83734 7.7366 12.4976 8.97305 7.33701 4.40897 numMergedOcc 0
14 mol 206 unq 2 iso 0 dist 8.42431 9.48802 4.51255 13.9224 7.83734 7.7366 9.24801 8.90838 8.0871 7.62219 numMergedOcc 0
15 mol 206 unq 3 iso 0 dist 8.42431 13.5013 6.23183 16.0675 8.20841 8.02137 15.1627 9.36584 7.75885 12.7604 numMergedOcc 0
16 mol 206 unq 4 iso 0 dist 8.42431 13.5013 6.23183 13.9224 7.83734 9.774 15.1627 9.36584 7.75885 6.45859 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 8.28824 6.70342 8.08965 6.45574 4.75609 5.4638 4.46919 6.82702 9.55668 7.60081 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.82533 12.8434 5.4557 11.9244 4.02333 6.97229 15.2312 7.26991 7.6595 6.7919 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.06614 5.0721 4.49592 10.0145 5.99797 8.2734 10.2691 5.06937 7.07965 10.8848 numMergedOcc 0
