0 mol 22 unq 0 iso 0 dist 7.74523 8.50997 8.90696 6.86436 9.32616 12.5658 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.3754 9.95999 4.89683 5.91456 9.04549 8.80762 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 7.14979 9.0481 6.50799 5.15367 7.44913 11.4262 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 9.15982 7.35639 14.849 11.2753 6.54778 18.0841 numMergedOcc 0
4 mol 124 unq 0 iso 0 dist 6.31232 7.3864 6.14262 8.28232 7.18976 12.5874 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 6.53758 7.77243 5.77183 7.28525 6.08846 6.27699 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 5.23223 7.77243 5.65976 7.28525 9.19171 6.27699 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 7.14447 8.58873 8.91031 9.07803 9.39389 13.8199 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 4.46578 6.53862 8.13581 10.008 8.76088 16.1477 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 5.86949 8.91834 11.7686 12.2411 9.18753 19.4707 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 5.84971 8.84061 11.6581 12.1573 9.15244 19.2686 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.45502 7.75233 8.35641 13.5755 9.38856 17.4012 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 9.58783 9.6856 17.0492 11.4343 9.11481 13.9008 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 6.57198 9.83891 10.2379 13.8187 9.64195 13.0736 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 5.2376 9.92349 7.38726 7.16053 6.80214 9.51136 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 5.2376 9.70779 10.0087 7.16053 6.80214 15.4986 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 7.6174 9.82101 12.0828 5.92917 8.74399 9.8349 numMergedOcc 0
17 mol 276 unq 0 iso 0 dist 5.71066 7.86619 7.75603 6.62682 9.87655 13.1857 numMergedOcc 0
18 mol 276 unq 1 iso 0 dist 8.0652 8.63212 14.6731 6.40983 7.60807 14.6789 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 6.15396 9.73723 8.67143 5.668 5.00258 8.99154 numMergedOcc 0
20 mol 282 unq 1 iso 0 dist 6.15396 9.73723 8.67143 8.54733 9.98886 17.4485 numMergedOcc 0
21 mol 282 unq 2 iso 0 dist 9.18964 9.73723 14.573 5.668 8.22117 8.99154 numMergedOcc 0
22 mol 282 unq 3 iso 0 dist 9.18964 9.73723 14.573 8.54733 6.81887 17.4485 numMergedOcc 0
23 mol 293 unq 0 iso 0 dist 6.02106 8.84911 5.48105 6.26633 7.41524 10.2129 numMergedOcc 0
24 mol 293 unq 1 iso 0 dist 8.27274 8.84911 4.88851 6.26633 6.42608 10.2129 numMergedOcc 0
