0 mol 24 unq 0 iso 0 dist 5.42968 9.67461 8.23075 16.1592 12.2271 8.70827 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.42968 9.67461 8.23075 10.9795 12.2839 6.73939 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.94343 9.67461 4.7841 16.1592 12.6431 8.70827 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.94343 9.67461 4.7841 10.9795 6.22954 6.73939 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.85083 16.4608 8.91596 19.6596 10.8132 7.99969 numMergedOcc 0
5 mol 36 unq 0 iso 0 dist 6.78857 5.19721 5.79779 10.5249 3.94298 8.07928 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.98764 10.489 8.62079 15.5941 12.0718 6.02816 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.5259 5.27921 5.42067 10.4318 4.30488 8.18107 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.5259 5.27921 5.42067 11.1087 5.09449 5.9465 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 9.5259 8.84724 7.36435 10.4318 4.30488 9.8859 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 9.5259 8.84724 7.36435 11.1087 5.09449 6.97962 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.58102 13.4875 7.92856 16.6939 11.6496 6.65501 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 9.00369 8.90571 5.54256 14.9418 7.28191 8.31932 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 7.25771 13.2553 9.30832 17.7779 15.5674 8.8822 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 7.25771 13.2553 9.30832 15.4081 13.7232 9.66219 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 9.60192 5.0535 4.76974 9.81027 8.16155 6.97707 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.24035 4.59843 9.84566 6.71675 5.05856 6.42735 numMergedOcc 0
17 mol 184 unq 1 iso 0 dist 8.77932 4.59843 8.22001 6.71675 5.69882 6.42735 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.6283 6.13422 6.93931 6.19189 5.70845 7.76163 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 9.32969 10.5763 9.52922 11.2921 3.7326 8.65535 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 9.33055 4.98231 6.59544 11.3628 9.10355 7.36683 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 9.33055 4.98231 6.59544 5.0778 9.70528 6.95086 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 7.25217 7.74458 7.97894 9.75046 4.97547 6.34616 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 9.84293 7.74458 8.08471 9.75046 5.92533 6.34616 numMergedOcc 0
24 mol 198 unq 2 iso 0 dist 5.84588 5.21925 8.08471 6.73371 5.92533 6.34616 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 4.72209 4.84308 7.13783 6.79634 4.76454 5.44002 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 8.42431 9.48802 4.51255 15.1627 9.36584 6.16414 numMergedOcc 0
27 mol 206 unq 1 iso 0 dist 8.42431 9.48802 4.51255 12.4976 8.97305 7.33701 numMergedOcc 0
28 mol 206 unq 2 iso 0 dist 8.42431 9.48802 4.51255 9.24801 8.90838 8.0871 numMergedOcc 0
29 mol 206 unq 3 iso 0 dist 8.42431 13.5013 6.23183 15.1627 9.36584 7.75885 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 8.28824 6.70342 8.08965 4.46919 6.82702 9.55668 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 8.82533 12.8434 5.4557 15.2312 7.26991 7.6595 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 8.06614 5.0721 4.49592 10.2691 5.06937 7.07965 numMergedOcc 0
