0 mol 41 unq 0 iso 0 dist 8.51663 5.0364 6.42834 13.4019 6.21128 9.95354 11.3157 11.5146 7.29079 13.4134 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 11.3019 7.58739 4.39445 12.8149 5.45005 8.13051 10.4875 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.80614 13.9007 7.6481 9.87158 9.01564 10.7557 12.8149 5.45005 8.13051 14.1301 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 8.80614 13.9007 7.6481 5.86526 7.11065 9.1083 12.8149 5.45005 8.13051 11.3747 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 12.847 9.0176 9.48887 12.4385 11.5269 6.44575 11.2397 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 7.69991 6.69989 8.55616 12.847 9.0176 9.48887 11.2896 6.93712 7.43401 8.62504 numMergedOcc 0
6 mol 134 unq 2 iso 0 dist 6.23142 5.3585 8.55616 8.06642 9.0176 9.48887 11.0808 11.5269 6.44575 11.2397 numMergedOcc 0
7 mol 134 unq 3 iso 0 dist 6.23142 5.3585 8.55616 8.06642 9.0176 9.48887 9.33094 6.93712 7.43401 8.62504 numMergedOcc 0
8 mol 134 unq 4 iso 0 dist 9.94764 6.74887 8.55616 4.00092 9.0176 9.48887 9.1998 11.5269 6.44575 11.2397 numMergedOcc 0
9 mol 134 unq 5 iso 0 dist 9.94764 6.74887 8.55616 4.00092 9.0176 9.48887 8.69531 6.93712 7.43401 8.62504 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.78652 6.01455 6.46089 4.78563 5.06564 4.38322 7.36975 12.207 7.05845 9.94557 numMergedOcc 0
11 mol 159 unq 0 iso 0 dist 8.4858 6.49376 8.52082 4.48323 9.35202 10.5255 13.15 13.0629 8.88492 17.2165 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 5.94469 6.7991 7.05653 5.42158 8.06308 5.82984 6.64173 4.98436 9.09234 11.0482 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 5.94469 6.7991 7.05653 5.42158 8.06308 5.82984 9.01624 11.9796 6.76746 9.92831 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 5.94469 6.7991 7.05653 5.42158 8.06308 5.82984 9.55105 12.3589 8.92098 12.1187 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 5.41321 6.43754 7.57454 5.0317 8.91971 4.09934 9.91384 12.8337 7.79951 6.09335 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 7.32499 5.9221 7.43663 13.1872 7.77911 11.8229 8.84746 11.1693 8.27411 11.2575 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 7.32499 5.9221 7.43663 13.1872 7.77911 11.8229 11.1846 10.7351 6.96257 15.8278 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 7.23721 5.34838 9.24367 10.7629 9.42255 10.5027 10.2562 9.85432 6.0283 10.4967 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.88863 5.98906 5.7131 5.94 8.6233 6.87619 9.74118 3.92782 6.1905 6.22943 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 9.88863 5.98906 5.7131 5.94 8.6233 6.87619 11.3379 5.93687 5.84792 9.23612 numMergedOcc 0
21 mol 292 unq 2 iso 0 dist 9.88863 5.98906 5.7131 5.94 8.6233 6.87619 14.1177 9.40023 8.73515 11.928 numMergedOcc 0
