HEADER PROTEIN 22-MAY-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-MAY-21 0 HETATM 1 O FDAREG_SGROUP = A 9 -10.084 4.419 0.000 0.00 0.00 O+0 HETATM 2 C FDAREG_SGROUP = A 9 -8.715 5.123 0.000 0.00 0.00 C+0 HETATM 3 C FDAREG_SGROUP = A 9 -7.416 4.278 0.000 0.00 0.00 C+0 HETATM 4 O FDAREG_SGROUP = A 9 -7.504 2.739 0.000 0.00 0.00 O+0 HETATM 5 C FDAREG_SGROUP = A 9 -6.046 4.982 0.000 0.00 0.00 C+0 HETATM 6 O FDAREG_SGROUP = A 9 -6.046 6.521 0.000 0.00 0.00 O+0 HETATM 7 C FDAREG_SGROUP = A 9 -4.748 4.145 0.000 0.00 0.00 C+0 HETATM 8 O FDAREG_SGROUP = A 9 -4.748 2.605 0.000 0.00 0.00 O+0 HETATM 9 C FDAREG_SGROUP = A 9 -3.378 4.848 0.000 0.00 0.00 C+0 HETATM 10 O FDAREG_SGROUP = A 9 -3.378 6.388 0.000 0.00 0.00 O+0 HETATM 11 C FDAREG_SGROUP = A 9 -2.080 4.004 0.000 0.00 0.00 C+0 HETATM 12 O FDAREG_SGROUP = A 9 -0.710 4.707 0.000 0.00 0.00 O+0 HETATM 13 Na 7 10.847 3.363 0.000 0.00 0.00 Na+1 HETATM 14 Al 4 11.457 -4.016 0.000 0.00 0.00 Al+3 HETATM 15 O FDAREG_SGROUP = B 10 -0.424 -4.022 0.000 0.00 0.00 O-1 HETATM 16 C FDAREG_SGROUP = B 10 0.342 -5.354 0.000 0.00 0.00 C+0 HETATM 17 O FDAREG_SGROUP = B 10 -0.424 -6.688 0.000 0.00 0.00 O-1 HETATM 18 O FDAREG_SGROUP = B 10 1.885 -5.354 0.000 0.00 0.00 O+0 HETATM 19 O 8 -10.514 -4.921 0.000 0.00 0.00 O-1 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 7 CONECT 6 5 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 7 10 11 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 CONECT 15 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 MASTER 0 0 0 0 0 0 0 0 19 0 28 0 END