0 mol 8 unq 0 iso 0 dist 8.59067 9.55219 8.77457 11.3046 7.35217 7.12263 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.59067 9.55219 8.77457 14.1458 11.1833 5.00267 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.88507 11.9782 5.40169 17.1789 7.71365 8.38836 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 9.39017 6.92682 8.00369 5.5461 7.50126 8.13471 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.85254 9.997 7.40415 18.0522 12.67 9.72965 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 6.85254 9.997 7.40415 10.3907 7.00226 5.63315 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 6.85254 9.997 7.40415 12.7829 5.93722 9.8465 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 6.09256 10.7812 7.09806 8.5972 4.22355 8.44437 numMergedOcc 0
8 mol 105 unq 1 iso 0 dist 8.40598 6.50376 7.09806 7.29506 4.22355 8.44437 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.89317 6.3404 7.91683 14.0617 13.3975 8.03035 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.89317 6.3404 7.91683 12.4657 8.00229 7.6968 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.75061 6.32847 5.39061 12.813 5.66194 7.76594 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.809 10.0225 8.50562 14.8051 10.9757 7.76594 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.81111 4.88633 6.73983 8.86754 4.38393 8.93453 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 5.66405 4.88633 7.64956 8.86754 6.06881 8.93453 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 6.5739 9.79606 8.57005 15.1686 11.41 8.53374 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 8.29782 11.1711 7.32555 13.414 6.29877 7.82546 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.58212 9.8972 5.45675 10.2841 5.91678 7.23293 numMergedOcc 0
18 mol 237 unq 0 iso 0 dist 9.46558 10.3592 6.07878 16.9157 11.0622 7.63812 numMergedOcc 0
19 mol 237 unq 1 iso 0 dist 9.46558 10.3592 6.07878 13.3083 10.1757 8.51129 numMergedOcc 0
