0 mol 34 unq 0 iso 0 dist 9.25005 5.08831 9.95093 10.7132 9.48125 9.92713 6.70369 8.52974 10.3173 8.73053 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.25005 5.08831 9.95093 10.7132 9.48125 9.92713 8.49278 5.27925 10.5841 7.07087 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.92771 6.92761 5.53419 4.38299 3.77542 3.57198 7.998 6.81182 6.02472 7.44805 numMergedOcc 0
3 mol 83 unq 0 iso 0 dist 6.72584 11.4378 8.99451 11.4698 7.50925 8.98065 7.6104 4.48523 5.68212 5.13041 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 5.35509 11.3904 9.59109 5.22187 4.88514 13.8739 8.97819 6.1672 13.1958 5.28634 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 7.99127 10.4027 7.2932 10.7652 4.3855 4.5497 10.8089 3.66518 10.3805 6.38786 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 6.24232 12.3252 6.12453 8.3462 5.86767 8.8681 9.01437 3.60864 5.24076 5.64732 numMergedOcc 0
7 mol 168 unq 1 iso 0 dist 6.24232 12.3252 6.12453 10.7396 5.28353 3.73181 9.01437 3.60864 5.24076 5.52214 numMergedOcc 0
8 mol 168 unq 2 iso 0 dist 8.1953 7.48749 6.12453 13.7178 5.86767 8.8681 9.6856 3.60864 5.24076 5.64732 numMergedOcc 0
9 mol 168 unq 3 iso 0 dist 8.1953 7.48749 6.12453 9.33959 5.28353 3.73181 9.6856 3.60864 5.24076 5.52214 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 9.03941 12.1927 7.85698 9.52806 5.10589 6.28646 15.0254 10.1931 5.82321 6.27378 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 9.03941 11.6241 6.35799 9.52806 5.10589 7.83748 15.0254 10.1931 9.47253 6.27378 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 8.08382 10.1822 8.58427 6.1158 4.68668 9.88575 11.1474 5.13698 12.6821 5.55176 numMergedOcc 0
13 mol 288 unq 0 iso 0 dist 8.08382 10.1822 8.58427 6.1158 4.68668 9.88575 11.1474 5.13698 12.6821 5.55176 numMergedOcc 0
14 mol 289 unq 0 iso 0 dist 8.08382 10.1822 8.58427 6.1158 4.68668 9.88575 11.1474 5.13698 12.6821 5.55176 numMergedOcc 0
