0 mol 24 unq 0 iso 0 dist 9.41441 7.95042 10.0453 9.88364 9.85784 15.2886 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.41441 7.95042 10.0453 9.78753 9.87996 16.0754 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.73939 6.6219 12.5545 15.4313 9.85784 20.8968 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.73939 6.6219 12.5545 14.1829 9.87996 19.0112 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.73939 5.68215 4.08755 15.4313 9.85784 13.849 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.73939 5.68215 4.08755 14.1829 9.87996 13.815 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.60554 8.09311 15.4445 14.8647 6.61696 21.7242 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.60554 8.09311 15.4445 5.11636 5.80953 12.6165 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 8.60554 9.05357 11.8971 14.8647 6.61696 18.1378 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 8.60554 9.05357 11.8971 5.11636 5.80953 12.7305 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 8.44664 8.09311 3.84336 4.79736 9.98592 7.77964 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 8.44664 9.05357 7.01276 4.79736 9.98592 12.1034 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 9.44691 8.09311 13.0295 14.4081 9.586 21.0436 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 9.44691 9.05357 4.02219 14.4081 9.586 13.5451 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 4.69295 9.16515 8.07318 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 8.87757 7.05196 3.904 8.79309 9.82987 10.9998 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 8.87757 7.05196 3.904 14.9206 9.40732 12.7065 numMergedOcc 0
17 mol 25 unq 3 iso 0 dist 8.87757 7.05196 3.904 13.6145 6.53269 10.156 numMergedOcc 0
18 mol 25 unq 4 iso 0 dist 6.16347 4.79873 5.46578 5.63212 5.20109 7.44277 numMergedOcc 0
19 mol 25 unq 5 iso 0 dist 6.16347 9.48085 9.62058 5.63212 5.20109 10.156 numMergedOcc 0
20 mol 25 unq 6 iso 0 dist 7.45383 7.52933 11.0227 6.47509 5.20109 11.842 numMergedOcc 0
21 mol 25 unq 7 iso 0 dist 7.45383 6.55597 4.98822 6.47509 5.20109 8.07318 numMergedOcc 0
22 mol 25 unq 8 iso 0 dist 7.45383 9.71956 10.3547 6.47509 5.20109 13.5069 numMergedOcc 0
23 mol 25 unq 9 iso 0 dist 7.45383 7.07751 7.91914 6.47509 5.20109 10.9998 numMergedOcc 0
24 mol 25 unq 10 iso 0 dist 7.45383 8.23761 11.7069 6.47509 5.20109 13.599 numMergedOcc 0
25 mol 25 unq 11 iso 0 dist 7.45383 9.49421 9.62058 6.47509 5.20109 10.156 numMergedOcc 0
26 mol 25 unq 12 iso 0 dist 6.85556 7.99919 6.19011 5.86705 6.29797 10.8668 numMergedOcc 0
27 mol 58 unq 0 iso 0 dist 5.93884 9.22598 5.66912 4.23671 9.53438 10.9762 numMergedOcc 0
28 mol 58 unq 1 iso 0 dist 7.68678 8.96727 5.66912 5.6823 9.53438 10.9762 numMergedOcc 0
29 mol 58 unq 2 iso 0 dist 7.68678 8.01308 5.76523 5.6823 9.53438 12.4865 numMergedOcc 0
30 mol 72 unq 0 iso 0 dist 9.27838 7.12321 14.005 5.69391 7.58875 10.6668 numMergedOcc 0
31 mol 72 unq 1 iso 0 dist 9.27838 7.12321 14.005 5.57624 9.52749 12.3081 numMergedOcc 0
32 mol 72 unq 2 iso 0 dist 9.27838 7.12321 14.005 4.03844 6.91169 10.9996 numMergedOcc 0
33 mol 92 unq 0 iso 0 dist 7.52354 9.33861 4.52323 6.95017 8.93769 8.89015 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 7.80523 7.07971 5.92927 5.00433 7.56755 9.09348 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 8.8822 8.80934 7.1951 13.9729 9.30645 12.1146 numMergedOcc 0
36 mol 119 unq 0 iso 0 dist 8.00003 8.95212 12.3661 9.85023 6.18678 14.339 numMergedOcc 0
37 mol 129 unq 0 iso 0 dist 4.97175 5.58833 4.28744 6.16616 9.35533 8.25397 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 8.06642 9.0176 8.62504 numMergedOcc 0
39 mol 134 unq 1 iso 0 dist 9.94764 9.1998 11.5269 4.00092 9.0176 11.2397 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 9.94764 8.69531 6.93712 4.00092 9.0176 8.62504 numMergedOcc 0
41 mol 143 unq 0 iso 0 dist 7.78652 7.36975 12.207 4.78563 5.06564 9.94557 numMergedOcc 0
42 mol 143 unq 1 iso 0 dist 7.78652 5.40637 10.0079 4.78563 5.06564 9.29944 numMergedOcc 0
43 mol 143 unq 2 iso 0 dist 8.91301 7.36975 14.7271 4.78563 7.5373 9.94557 numMergedOcc 0
44 mol 143 unq 3 iso 0 dist 8.91301 5.40637 9.05366 4.78563 7.5373 9.29944 numMergedOcc 0
45 mol 159 unq 0 iso 0 dist 8.4858 9.36259 9.65034 4.48323 9.35202 10.3977 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 5.94469 6.64173 4.98436 5.42158 8.06308 11.0482 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 5.94469 9.01624 11.9796 5.42158 8.06308 9.92831 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 5.94469 9.55105 12.3589 5.42158 8.06308 12.1187 numMergedOcc 0
49 mol 184 unq 0 iso 0 dist 6.42735 8.97589 3.7949 4.08775 7.81263 9.52678 numMergedOcc 0
50 mol 184 unq 1 iso 0 dist 6.42735 5.96423 4.67256 4.08775 7.81263 4.61596 numMergedOcc 0
51 mol 186 unq 0 iso 0 dist 7.76163 7.05695 3.78314 14.106 9.99396 13.7317 numMergedOcc 0
52 mol 186 unq 1 iso 0 dist 8.73217 6.61112 4.03697 10.8286 9.99396 8.5672 numMergedOcc 0
53 mol 195 unq 0 iso 0 dist 7.36683 7.41662 8.90504 5.41635 6.22742 11.6534 numMergedOcc 0
54 mol 195 unq 1 iso 0 dist 9.26504 9.03441 8.29668 6.04871 6.22742 11.3524 numMergedOcc 0
55 mol 232 unq 0 iso 0 dist 9.05071 6.71524 11.2243 5.42461 6.59036 11.1014 numMergedOcc 0
56 mol 279 unq 0 iso 0 dist 7.23721 7.24366 4.05042 10.7629 9.42255 12.4794 numMergedOcc 0
57 mol 292 unq 0 iso 0 dist 9.88863 9.74118 3.92782 5.94 8.6233 6.22943 numMergedOcc 0
