0 mol 24 unq 0 iso 0 dist 6.54508 7.42417 5.78532 10.5851 8.49709 4.15946 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.54508 10.5851 8.49709 7.42417 5.78532 4.15946 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.36381 6.53276 4.44526 6.81998 9.586 11.342 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.36381 6.81998 9.586 6.53276 4.44526 11.342 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 4.47883 9.73623 6.21128 10.3598 9.57024 6.79252 numMergedOcc 0
5 mol 41 unq 0 iso 1 dist 4.47883 10.3598 9.57024 9.73623 6.21128 6.79252 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 6.07514 7.10946 6.21128 5.28774 9.57024 6.79252 numMergedOcc 0
7 mol 41 unq 1 iso 1 dist 6.07514 5.28774 9.57024 7.10946 6.21128 6.79252 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.57705 4.32712 8.02443 11.1935 9.09458 7.21092 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 8.57705 11.1935 9.09458 4.32712 8.02443 7.21092 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.54368 4.16536 8.98912 9.64683 8.93769 5.74171 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 9.54368 9.64683 8.93769 4.16536 8.98912 5.74171 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.33961 11.2155 9.25444 9.96465 8.46823 10.2754 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 5.33961 9.96465 8.46823 11.2155 9.25444 10.2754 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.3505 11.9783 9.84703 7.43001 4.62494 10.2754 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 8.3505 7.43001 4.62494 11.9783 9.84703 10.2754 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.29816 18.3829 9.25444 13.7832 8.46823 10.2754 numMergedOcc 0
17 mol 98 unq 2 iso 1 dist 9.29816 13.7832 8.46823 18.3829 9.25444 10.2754 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 5.08983 9.51607 9.25444 12.5752 8.46823 10.2754 numMergedOcc 0
19 mol 98 unq 3 iso 1 dist 5.08983 12.5752 8.46823 9.51607 9.25444 10.2754 numMergedOcc 0
20 mol 154 unq 0 iso 0 dist 5.06116 9.10645 8.71789 4.02111 5.2693 6.92308 numMergedOcc 0
21 mol 154 unq 0 iso 1 dist 5.06116 4.02111 5.2693 9.10645 8.71789 6.92308 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 7.25009 8.61147 9.16358 5.45915 9.24038 6.56063 numMergedOcc 0
23 mol 155 unq 0 iso 1 dist 7.25009 5.45915 9.24038 8.61147 9.16358 6.56063 numMergedOcc 0
24 mol 212 unq 0 iso 0 dist 5.03184 6.48939 9.10288 5.81626 6.19798 6.18191 numMergedOcc 0
25 mol 212 unq 0 iso 1 dist 5.03184 5.81626 6.19798 6.48939 9.10288 6.18191 numMergedOcc 0
26 mol 212 unq 1 iso 0 dist 5.03184 6.48939 9.10288 6.89781 7.24895 9.88475 numMergedOcc 0
27 mol 212 unq 1 iso 1 dist 5.03184 6.89781 7.24895 6.48939 9.10288 9.88475 numMergedOcc 0
28 mol 212 unq 1 iso 0 dist 5.03184 5.81626 6.19798 6.89781 7.24895 4.36986 numMergedOcc 0
29 mol 212 unq 1 iso 1 dist 5.03184 6.89781 7.24895 5.81626 6.19798 4.36986 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 6.32334 4.12728 9.25617 7.13796 9.05276 6.43567 numMergedOcc 0
31 mol 224 unq 0 iso 1 dist 6.32334 7.13796 9.05276 4.12728 9.25617 6.43567 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 9.49163 11.2979 9.82043 11.0488 8.22922 4.23863 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 9.49163 11.0488 8.22922 11.2979 9.82043 4.23863 numMergedOcc 0
34 mol 225 unq 1 iso 0 dist 9.99149 11.7808 9.82043 10.2606 8.22922 4.23863 numMergedOcc 0
35 mol 225 unq 1 iso 1 dist 9.99149 10.2606 8.22922 11.7808 9.82043 4.23863 numMergedOcc 0
36 mol 239 unq 0 iso 0 dist 7.63381 15.9388 8.95511 4.22981 5.85002 13.9726 numMergedOcc 0
37 mol 239 unq 0 iso 1 dist 7.63381 4.22981 5.85002 15.9388 8.95511 13.9726 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 8.89714 13.9497 5.61969 15.8207 9.0277 4.4844 numMergedOcc 0
39 mol 273 unq 0 iso 1 dist 8.89714 15.8207 9.0277 13.9497 5.61969 4.4844 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 4.97796 6.70266 9.65868 5.15747 8.60027 10.7637 numMergedOcc 0
41 mol 274 unq 0 iso 1 dist 4.97796 5.15747 8.60027 6.70266 9.65868 10.7637 numMergedOcc 0
