0 mol 24 unq 0 iso 0 dist 8.60554 8.09311 15.4445 4.79736 13.0764 7.77964 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.44664 8.09311 3.84336 4.79736 9.98592 7.77964 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.44691 8.09311 13.0295 4.79736 13.2105 7.77964 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 4.69295 9.16515 8.07318 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.87757 7.05196 3.904 11.6045 9.35791 7.44277 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 6.16347 4.79873 5.46578 5.63212 5.20109 7.44277 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 7.45383 6.55597 4.98822 6.47509 5.20109 8.07318 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 9.01548 6.55597 13.4321 6.47509 12.506 8.07318 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 7.92503 4.79873 11.0175 5.63212 13.0308 7.44277 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 7.16773 9.03564 9.76482 9.96534 11.1705 8.77529 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 8.08618 6.56212 5.56986 6.08003 9.87767 8.66724 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 6.02816 5.61588 8.26195 5.9144 11.049 8.46627 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 6.02816 7.83244 12.382 5.9144 11.049 9.22208 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 5.37007 7.13008 6.26082 9.50063 12.7838 8.89015 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 7.52354 9.33861 4.52323 6.95017 8.93769 8.89015 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 7.80523 7.07971 5.92927 5.00433 7.56755 9.09348 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.36851 5.58833 9.30433 6.16616 12.8649 8.25397 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 4.97175 5.58833 4.28744 6.16616 9.35533 8.25397 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 7.71248 8.26547 8.88402 6.9945 13.0475 7.48208 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 8.06642 9.0176 8.62504 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.94764 8.69531 6.93712 4.00092 9.0176 8.62504 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 7.78652 5.40637 10.0079 4.78563 5.06564 9.29944 numMergedOcc 0
22 mol 143 unq 1 iso 0 dist 8.91301 5.40637 9.05366 4.78563 7.5373 9.29944 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 5.94469 9.01624 11.9796 5.42158 8.06308 9.92831 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 6.42735 5.96423 4.67256 4.08775 7.81263 4.61596 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.73217 6.61112 4.03697 10.8286 9.99396 8.5672 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 4.8668 6.49765 9.86388 8.97813 11.992 5.03818 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 8.69356 8.19317 10.0135 9.72447 8.92161 6.03081 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 8.69356 8.19317 10.0135 12.983 14.4403 7.41433 numMergedOcc 0
29 mol 235 unq 2 iso 0 dist 8.69356 6.29377 5.2878 10.3462 12.2694 8.85214 numMergedOcc 0
30 mol 235 unq 3 iso 0 dist 8.69356 6.29377 5.2878 9.72447 8.92161 5.1874 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 10.4706 17.6277 4.66186 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 8.76935 7.10671 3.85188 5.71505 11.4892 8.20943 numMergedOcc 0
33 mol 243 unq 1 iso 0 dist 8.47652 7.10671 6.25256 5.71505 11.295 8.20943 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 9.88863 9.74118 3.92782 5.94 8.6233 6.22943 numMergedOcc 0
35 mol 292 unq 1 iso 0 dist 9.88863 9.74118 3.92782 9.18492 10.9571 9.31056 numMergedOcc 0
36 mol 292 unq 2 iso 0 dist 8.87028 9.46442 6.00981 17.5073 14.6232 9.23612 numMergedOcc 0
