0 mol 5 unq 0 iso 0 dist 9.19117 11.9147 8.97274 11.032 6.86923 3.14155 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.65106 4.2849 8.97274 6.4543 6.86923 3.14155 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.80801 11.1932 8.8645 14.2731 8.52681 4.88527 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.80801 11.1932 8.8645 14.6657 9.98769 5.56357 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.5859 11.3611 8.3491 14.5118 9.40291 5.43784 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.5859 11.3611 8.3491 14.0609 7.94814 4.57947 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.5859 11.3611 8.3491 14.4284 9.55632 4.60843 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 7.24597 10.0102 9.06612 4.41909 6.42443 6.41526 numMergedOcc 0
8 mol 63 unq 1 iso 0 dist 7.24597 7.60185 6.04797 4.41909 6.42443 9.15959 numMergedOcc 0
9 mol 63 unq 2 iso 0 dist 7.24597 13.7081 8.88058 4.41909 6.42443 14.8894 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 9.62885 4.65331 9.35701 9.27093 8.95465 6.6937 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.94326 6.01218 6.84679 8.19192 8.35588 3.11607 numMergedOcc 0
12 mol 230 unq 0 iso 0 dist 8.59955 12.4865 6.75627 10.6497 5.48736 5.12417 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 8.92083 13.1329 8.93589 10.2458 9.45199 4.99117 numMergedOcc 0
14 mol 244 unq 1 iso 0 dist 8.92083 13.1329 8.93589 16.9849 9.07512 7.28456 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.92464 8.31788 5.32839 4.01495 7.82157 5.96434 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 7.92464 8.31788 5.32839 14.2045 8.39976 7.33038 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.92464 8.31788 5.32839 4.01495 7.82157 5.96434 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 7.92464 8.31788 5.32839 14.2045 8.39976 7.33038 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.92464 8.31788 5.32839 4.01495 7.82157 5.96434 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 7.92464 8.31788 5.32839 14.2045 8.39976 7.33038 numMergedOcc 0
