0 mol 43 unq 0 iso 0 dist 9.72036 9.3718 9.30704 6.66552 7.80117 13.2405 4.45291 8.25915 9.81007 6.82158 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.72036 9.3718 9.30704 14.2962 9.79386 18.5723 4.45291 8.25915 9.81007 12.8294 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.0851 7.61615 3.48713 5.88248 7.47596 10.0943 11.5886 9.78501 13.2337 6.33193 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.27814 8.15861 16.3912 11.0215 6.2753 18.0742 15.4847 9.22903 22.4453 4.47873 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 6.33923 9.9801 6.13173 9.73916 8.69371 14.379 4.53184 7.36025 9.60251 13.0386 numMergedOcc 0
5 mol 165 unq 0 iso 0 dist 7.84854 9.43781 13.4383 4.69546 7.55302 13.0118 5.05659 4.63353 12.713 6.28125 numMergedOcc 0
6 mol 194 unq 0 iso 0 dist 4.42095 4.55528 3.78714 7.59741 7.31316 7.26295 13.9253 9.60788 11.9307 14.5547 numMergedOcc 0
7 mol 194 unq 1 iso 0 dist 4.42095 4.55528 3.78714 12.4055 8.9865 11.6638 13.9253 9.60788 11.9307 5.25176 numMergedOcc 0
8 mol 194 unq 2 iso 0 dist 4.63898 6.88386 3.78714 11.577 7.31316 7.26295 10.4232 9.60788 11.9307 14.5547 numMergedOcc 0
9 mol 194 unq 3 iso 0 dist 4.63898 6.88386 3.78714 7.3101 8.9865 11.6638 10.4232 9.60788 11.9307 5.25176 numMergedOcc 0
10 mol 225 unq 0 iso 0 dist 8.52735 5.65735 8.44761 12.0772 8.92555 14.4212 8.16509 8.13294 12.1527 5.29135 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 7.45508 5.79883 12.7924 4.30527 7.14918 9.29322 11.0598 7.01673 15.7309 8.65126 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 7.94753 9.99046 2.67738 7.0041 8.87934 9.66687 13.5342 9.70628 7.98511 13.6734 numMergedOcc 0
13 mol 254 unq 1 iso 0 dist 7.94753 9.99046 2.67738 13.0274 9.47133 7.61537 13.5342 9.70628 7.98511 7.62172 numMergedOcc 0
14 mol 254 unq 2 iso 0 dist 9.99046 7.94753 2.67738 7.0041 9.66687 8.87934 13.5342 7.98511 9.70628 13.6734 numMergedOcc 0
15 mol 254 unq 3 iso 0 dist 9.99046 7.94753 2.67738 13.0274 7.61537 9.47133 13.5342 7.98511 9.70628 7.62172 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 6.32853 5.77565 5.57024 8.60551 7.70811 12.1231 5.69575 8.23254 10.7971 4.74285 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 6.32853 5.77565 5.57024 3.93072 9.98144 8.90108 5.69575 8.23254 10.7971 6.60935 numMergedOcc 0
