0 mol 43 unq 0 iso 0 dist 9.0979 14.5812 8.34145 19.1124 10.8828 6.6263 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.0979 14.5812 8.34145 11.7216 5.07458 6.75943 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.25594 12.0466 8.77529 14.2601 9.67727 9.2898 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.80026 9.85425 8.66724 6.46655 6.08003 6.56212 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.12959 10.3042 9.59729 11.272 5.31985 6.72869 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.12959 10.3042 9.59729 19.5833 15.4159 9.85905 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.7288 12.4136 8.7515 18.1637 10.867 9.76379 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 5.99965 11.4151 8.75345 16.3694 13.086 9.3948 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 8.90889 9.56898 8.25397 11.0507 6.16616 5.58833 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.7105 5.94578 7.48208 7.15203 6.9945 8.26547 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.7105 5.94578 7.48208 11.0475 4.19723 9.05342 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 6.51243 8.39434 9.43904 9.42819 5.65603 7.37333 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 6.51243 4.92282 7.01095 9.42819 5.65603 7.45998 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 8.82169 11.6479 8.75024 13.9679 6.86812 9.08274 numMergedOcc 0
14 mol 170 unq 1 iso 0 dist 8.82169 11.6479 8.75024 13.5425 5.7304 9.51256 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 7.7619 8.69902 9.91727 10.7197 12.1607 9.31526 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.867 9.78747 5.03818 14.4261 8.97813 6.49765 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 5.63283 6.31671 6.40171 11.8897 7.94891 7.21137 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 5.63283 6.31671 6.40171 6.57849 6.37317 8.4844 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 8.89981 11.2245 9.43017 16.48 16.8346 7.46481 numMergedOcc 0
20 mol 217 unq 0 iso 0 dist 6.58871 5.27109 9.37602 5.10683 4.64118 7.60269 numMergedOcc 0
21 mol 251 unq 0 iso 0 dist 6.67075 9.91267 9.02417 16.9327 13.28 9.82601 numMergedOcc 0
22 mol 251 unq 1 iso 0 dist 6.67075 9.91267 9.02417 13.2248 11.5298 6.50357 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.24101 6.03488 7.89938 13.6276 6.73772 9.9886 numMergedOcc 0
