0 mol 17 unq 0 iso 0 dist 9.35967 6.30059 5.61893 10.1102 4.64234 4.0384 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.35967 6.30059 5.61893 9.53966 6.26254 4.31247 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.49446 7.41234 5.78968 10.9175 8.7531 3.86946 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 6.49446 7.41234 5.78968 5.4275 7.25138 10.4041 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.23695 7.04642 8.64534 13.2176 9.00612 7.57912 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 5.77675 5.01328 5.16558 5.88789 8.4702 7.68524 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 5.8409 14.0613 8.61468 7.4829 8.48827 13.4907 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 5.8409 14.0613 8.61468 8.47947 7.14048 10.4533 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 8.13368 14.0613 6.27186 7.4829 8.03895 13.4907 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 8.13368 14.0613 6.27186 8.47947 5.68873 10.4533 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.79535 8.05534 5.59846 13.8801 8.56269 6.02019 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.79535 8.05534 5.59846 7.19267 9.40699 9.17488 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 6.28645 4.37155 8.28452 6.39939 7.08403 3.7042 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 6.28645 8.06688 8.44004 6.39939 7.08403 12.5507 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 8.94007 8.44136 6.28769 5.76262 8.76449 7.56825 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 8.94007 8.44136 6.28769 4.09924 8.36182 5.56838 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 6.57161 4.34059 8.56204 6.55092 7.33643 3.86496 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 9.67954 12.0087 8.53483 10.1955 7.16035 13.7852 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 9.67954 12.0087 8.53483 7.68974 6.2675 9.09406 numMergedOcc 0
19 mol 183 unq 2 iso 0 dist 9.67954 4.34979 8.58404 10.1955 7.16035 11.9399 numMergedOcc 0
20 mol 183 unq 3 iso 0 dist 9.67954 4.34979 8.58404 7.68974 6.2675 9.29513 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 9.27825 4.03855 6.06763 10.2953 9.1549 8.94859 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.37765 9.59863 7.45384 3.98361 9.14525 12.0957 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 9.6748 5.23854 6.81644 6.56644 6.46793 5.38511 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 7.77279 11.6097 7.02076 8.52094 8.71119 9.06758 numMergedOcc 0
25 mol 253 unq 1 iso 0 dist 7.77279 11.6097 7.02076 5.00156 6.21648 7.93354 numMergedOcc 0
26 mol 270 unq 0 iso 0 dist 4.60602 7.18911 6.55866 9.89802 7.97614 5.81979 numMergedOcc 0
27 mol 270 unq 1 iso 0 dist 6.62637 9.8916 6.55866 8.63373 7.97614 5.81979 numMergedOcc 0
