0 mol 26 unq 0 iso 0 dist 8.8533 8.69142 5.30297 7.54726 6.73259 9.27369 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.87744 8.43523 5.30297 12.5131 6.73259 9.27369 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.33262 5.76805 8.75516 6.11801 14.9232 8.60535 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.05954 6.15011 8.0763 5.27016 8.95651 5.62309 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 5.9819 9.86487 15.0784 6.92638 10.7968 5.42828 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 5.36473 9.84391 8.66057 4.73128 5.82501 7.48533 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 7.90691 4.89256 5.19611 4.9915 6.4416 6.03154 numMergedOcc 0
7 mol 128 unq 1 iso 0 dist 8.83011 4.89256 4.68499 4.9915 7.49024 6.03154 numMergedOcc 0
8 mol 146 unq 0 iso 0 dist 4.83039 6.4477 6.00811 9.75979 11.4102 7.13378 numMergedOcc 0
9 mol 146 unq 1 iso 0 dist 5.38829 7.92203 6.00811 9.5782 11.4102 7.13378 numMergedOcc 0
10 mol 146 unq 2 iso 0 dist 7.498 6.75663 7.59769 6.31044 5.04351 8.09482 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 7.87322 8.76228 11.4153 9.91529 5.36078 9.51638 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.59729 8.76308 5.91678 12.897 11.7253 7.58256 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 9.11795 6.90717 7.29498 9.34391 15.4575 8.7085 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 9.33359 5.27184 5.92456 5.05085 9.30828 8.37813 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 9.33359 5.27184 5.92456 5.9703 13.6144 9.14116 numMergedOcc 0
16 mol 270 unq 0 iso 0 dist 6.87859 6.97639 5.47584 8.5694 12.0229 8.50042 numMergedOcc 0
17 mol 278 unq 0 iso 0 dist 9.06043 6.9592 15.1214 4.46246 12.9943 6.81257 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.79154 8.25538 10.8252 4.91435 9.60904 8.42076 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 9.79154 8.25538 10.8252 4.91435 9.60904 8.42076 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 9.79154 8.25538 10.8252 4.91435 9.60904 8.42076 numMergedOcc 0
