0 mol 7 unq 0 iso 0 dist 8.94874 8.36111 5.07985 5.99898 6.83196 4.80709 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.94874 5.99898 6.83196 8.36111 5.07985 4.80709 numMergedOcc 0
2 mol 66 unq 0 iso 0 dist 9.31938 8.78967 10.1359 9.08763 9.23823 3.70876 numMergedOcc 0
3 mol 66 unq 0 iso 1 dist 9.31938 9.08763 9.23823 8.78967 10.1359 3.70876 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.71615 8.16985 11.9225 7.81344 13.3667 3.43675 numMergedOcc 0
5 mol 72 unq 0 iso 1 dist 8.71615 7.81344 13.3667 8.16985 11.9225 3.43675 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 8.71615 8.16985 11.9225 5.49421 8.89293 5.75711 numMergedOcc 0
7 mol 72 unq 1 iso 1 dist 8.71615 5.49421 8.89293 8.16985 11.9225 5.75711 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 8.71615 7.81344 13.3667 5.49421 8.89293 5.26077 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 8.71615 5.49421 8.89293 7.81344 13.3667 5.26077 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.26463 6.88175 4.80926 9.98931 8.62789 12.5134 numMergedOcc 0
11 mol 119 unq 0 iso 1 dist 7.26463 9.98931 8.62789 6.88175 4.80926 12.5134 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 7.26463 6.88175 4.80926 8.47642 9.86004 11.8912 numMergedOcc 0
13 mol 119 unq 1 iso 1 dist 7.26463 8.47642 9.86004 6.88175 4.80926 11.8912 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.26463 9.98931 8.62789 8.47642 9.86004 5.3866 numMergedOcc 0
15 mol 119 unq 1 iso 1 dist 7.26463 8.47642 9.86004 9.98931 8.62789 5.3866 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 9.59797 9.2536 5.42648 9.38425 11.8262 7.51679 numMergedOcc 0
17 mol 171 unq 0 iso 1 dist 9.59797 9.38425 11.8262 9.2536 5.42648 7.51679 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.40343 7.12029 8.06464 8.56602 5.21837 6.09215 numMergedOcc 0
19 mol 186 unq 0 iso 1 dist 8.40343 8.56602 5.21837 7.12029 8.06464 6.09215 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 4.55528 8.01415 4.43093 8.25861 5.15938 6.07936 numMergedOcc 0
21 mol 207 unq 0 iso 1 dist 4.55528 8.25861 5.15938 8.01415 4.43093 6.07936 numMergedOcc 0
22 mol 207 unq 1 iso 0 dist 4.55528 8.01415 4.43093 8.5067 7.6274 10.1734 numMergedOcc 0
23 mol 207 unq 1 iso 1 dist 4.55528 8.5067 7.6274 8.01415 4.43093 10.1734 numMergedOcc 0
24 mol 207 unq 1 iso 0 dist 4.55528 8.25861 5.15938 8.5067 7.6274 4.66347 numMergedOcc 0
25 mol 207 unq 1 iso 1 dist 4.55528 8.5067 7.6274 8.25861 5.15938 4.66347 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 9.5045 7.61739 11.9017 9.59191 9.63121 6.00634 numMergedOcc 0
27 mol 222 unq 0 iso 1 dist 9.5045 9.59191 9.63121 7.61739 11.9017 6.00634 numMergedOcc 0
28 mol 231 unq 0 iso 0 dist 6.73226 9.37406 11.9013 8.98908 4.82429 9.87518 numMergedOcc 0
29 mol 231 unq 0 iso 1 dist 6.73226 8.98908 4.82429 9.37406 11.9013 9.87518 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 9.05149 9.68232 6.37501 8.29663 7.50166 3.64495 numMergedOcc 0
31 mol 260 unq 0 iso 1 dist 9.05149 8.29663 7.50166 9.68232 6.37501 3.64495 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 9.30966 9.00595 6.35472 9.40401 13.3483 8.77585 numMergedOcc 0
33 mol 274 unq 0 iso 1 dist 9.30966 9.40401 13.3483 9.00595 6.35472 8.77585 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 5.38704 9.00595 3.98545 9.40401 7.5856 8.77585 numMergedOcc 0
35 mol 274 unq 1 iso 1 dist 5.38704 9.40401 7.5856 9.00595 3.98545 8.77585 numMergedOcc 0
36 mol 274 unq 2 iso 0 dist 8.05503 9.00595 6.26815 9.40401 5.04738 8.77585 numMergedOcc 0
37 mol 274 unq 2 iso 1 dist 8.05503 9.40401 5.04738 9.00595 6.26815 8.77585 numMergedOcc 0
