0 mol 26 unq 0 iso 0 dist 6.93801 7.46244 6.74848 6.61393 7.90721 10.0347 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 8.83047 12.4655 7.75295 5.86191 6.2676 6.81798 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 6.95013 7.96384 7.75295 8.21791 6.2676 6.81798 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 9.16658 7.8821 5.53589 5.74753 7.4515 6.23298 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.91206 6.41591 7.62738 13.1036 7.69861 13.0054 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.67513 9.55939 7.62738 7.16384 7.69861 13.0054 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.84146 15.2909 8.8562 15.9454 9.6121 12.8661 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.84146 15.2909 8.8562 17.7274 9.57341 5.37917 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 8.84146 4.96177 7.91683 15.9454 9.6121 13.3563 numMergedOcc 0
9 mol 119 unq 3 iso 0 dist 8.84146 4.96177 7.91683 17.7274 9.57341 15.7711 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 7.68174 8.31794 5.94233 5.11016 8.66815 5.50104 numMergedOcc 0
11 mol 126 unq 1 iso 0 dist 7.68174 9.33341 8.56219 5.11016 8.66815 7.02562 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 6.93136 11.6598 6.95372 9.88555 7.16698 6.11087 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 6.93136 11.6598 6.95372 12.1494 8.68663 4.06908 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 7.24115 9.21335 6.76055 4.87865 6.11331 11.3715 numMergedOcc 0
15 mol 158 unq 1 iso 0 dist 7.24115 13.1807 9.36343 4.87865 6.11331 14.1217 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 4.97005 5.80701 7.46987 10.2673 8.57801 6.18065 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 8.63008 4.44921 5.68348 5.39223 5.53324 4.002 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 8.63008 4.44921 5.68348 11.8568 6.72182 7.41775 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 9.05206 11.9731 5.57779 4.86533 9.14831 12.2656 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 9.05206 10.4089 7.05649 4.86533 9.14831 7.76842 numMergedOcc 0
21 mol 210 unq 2 iso 0 dist 9.05206 4.78637 6.78579 4.86533 9.14831 3.93305 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 9.04499 13.0565 9.08955 12.9462 7.97027 4.67663 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 9.04499 13.0565 9.08955 11.0561 6.81955 9.32357 numMergedOcc 0
24 mol 222 unq 2 iso 0 dist 9.04499 13.0565 9.08955 9.50604 4.9876 6.37382 numMergedOcc 0
25 mol 222 unq 3 iso 0 dist 9.04499 15.9525 8.88664 12.9462 7.97027 4.00869 numMergedOcc 0
26 mol 222 unq 4 iso 0 dist 9.04499 15.9525 8.88664 11.0561 6.81955 12.2233 numMergedOcc 0
27 mol 222 unq 5 iso 0 dist 9.04499 15.9525 8.88664 9.50604 4.9876 9.60662 numMergedOcc 0
28 mol 222 unq 6 iso 0 dist 9.04499 15.2255 7.16819 12.9462 7.97027 6.23984 numMergedOcc 0
29 mol 222 unq 7 iso 0 dist 9.04499 15.2255 7.16819 11.0561 6.81955 8.87178 numMergedOcc 0
30 mol 222 unq 8 iso 0 dist 9.04499 15.2255 7.16819 9.50604 4.9876 7.13962 numMergedOcc 0
31 mol 250 unq 0 iso 0 dist 5.43238 4.45246 5.93798 5.17779 6.93875 6.40609 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.84798 10.8394 9.30921 14.4305 5.8304 11.0079 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 8.84798 10.8394 9.30921 6.08238 7.37478 9.53157 numMergedOcc 0
34 mol 284 unq 0 iso 0 dist 5.68818 7.98227 9.63007 14.1802 9.07503 14.7394 numMergedOcc 0
35 mol 284 unq 1 iso 0 dist 5.68818 7.98227 9.63007 11.9492 7.63256 14.5604 numMergedOcc 0
