0 mol 20 unq 0 iso 0 dist 6.09002 3.79581 4.36087 9.45204 3.39356 7.09639 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 6.40219 7.18662 5.47447 12.2915 8.32323 7.31718 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.06267 5.74372 9.63906 5.88334 3.20411 7.71872 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 5.88334 5.74372 7.71872 8.06267 3.20411 9.63906 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.69926 6.92455 4.29937 5.85237 2.58673 5.37869 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 7.69926 7.01366 3.65628 5.85237 2.58673 4.05415 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 7.69926 14.8822 9.77774 5.85237 2.58673 9.97944 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 5.85237 6.92455 5.37869 7.69926 2.58673 4.29937 numMergedOcc 0
8 mol 85 unq 4 iso 0 dist 5.85237 7.01366 4.05415 7.69926 2.58673 3.65628 numMergedOcc 0
9 mol 85 unq 5 iso 0 dist 5.85237 14.8822 9.97944 7.69926 2.58673 9.77774 numMergedOcc 0
10 mol 85 unq 6 iso 0 dist 9.11768 8.32224 5.37869 9.7173 2.58673 4.29937 numMergedOcc 0
11 mol 85 unq 7 iso 0 dist 9.11768 6.15019 4.05415 9.7173 2.58673 3.65628 numMergedOcc 0
12 mol 85 unq 8 iso 0 dist 9.11768 12.6518 9.97944 9.7173 2.58673 9.77774 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.59585 5.70579 4.30875 9.7073 9.78508 8.65807 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 9.7073 5.70579 8.65807 9.59585 9.78508 4.30875 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 8.39897 10.5361 5.12272 10.8483 4.68125 8.7121 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 9.03078 8.88819 5.12272 13.4973 4.68125 8.7121 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 7.48734 4.67135 7.0961 11.0618 5.29906 8.26768 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 5.6125 9.87321 7.0961 10.3143 5.29906 8.26768 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 9.37946 5.7891 4.11374 9.13646 9.48187 8.37602 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 9.13646 5.7891 8.37602 9.37946 9.48187 4.11374 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 9.52922 10.0756 4.45769 11.7672 3.78714 5.89939 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 9.52922 16.4082 8.99961 11.7672 3.78714 8.18853 numMergedOcc 0
23 mol 194 unq 2 iso 0 dist 9.38984 13.9836 5.89939 13.001 3.78714 4.45769 numMergedOcc 0
24 mol 194 unq 3 iso 0 dist 9.38984 13.9116 8.18853 13.001 3.78714 8.99961 numMergedOcc 0
25 mol 194 unq 4 iso 0 dist 9.91118 15.5573 5.89939 13.1712 3.78714 4.45769 numMergedOcc 0
26 mol 194 unq 5 iso 0 dist 9.91118 16.1172 8.18853 13.1712 3.78714 8.99961 numMergedOcc 0
27 mol 198 unq 0 iso 0 dist 9.7657 12.1607 7.04521 12.5032 3.09303 8.85265 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 9.57465 6.03044 7.99036 11.9752 5.10881 7.98132 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 8.55044 12.2555 9.81261 19.407 14.7288 7.62991 numMergedOcc 0
