HEADER PROTEIN 12-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 12-SEP-22 0 HETATM 1 C UNK 0 2.204 -6.622 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 0.698 -6.943 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 0.222 -8.407 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.333 -5.798 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 0.143 -4.334 0.000 0.00 0.00 C+0 HETATM 6 N UNK 0 -0.887 -3.189 0.000 0.00 0.00 N+0 HETATM 7 C UNK 0 -2.393 -3.509 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -3.424 -2.365 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.869 -4.974 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 -1.839 -6.118 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 -4.376 -5.294 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.852 -6.759 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.821 -7.903 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.297 -9.368 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.803 -9.688 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 -6.279 -11.153 0.000 0.00 0.00 O+0 HETATM 17 S UNK 0 -7.786 -11.473 0.000 0.00 0.00 S+0 HETATM 18 O UNK 0 -9.292 -11.793 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 -7.465 -12.979 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 -8.106 -9.966 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 -6.834 -8.544 0.000 0.00 0.00 C+0 HETATM 22 Cl UNK 0 -8.340 -8.864 0.000 0.00 0.00 Cl+0 HETATM 23 C UNK 0 -6.358 -7.079 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 1.650 -4.013 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 2.680 -5.158 0.000 0.00 0.00 O+0 HETATM 26 N UNK 0 2.126 -2.549 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 1.220 -1.303 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.320 -1.303 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 -1.090 -2.637 0.000 0.00 0.00 O+0 HETATM 30 N UNK 0 -1.090 0.031 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 -2.630 0.031 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.400 -1.303 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.940 -1.303 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -5.710 0.031 0.000 0.00 0.00 C+0 HETATM 35 N UNK 0 -4.940 1.365 0.000 0.00 0.00 N+0 HETATM 36 C UNK 0 -5.710 2.698 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 -7.250 2.698 0.000 0.00 0.00 N+0 HETATM 38 N UNK 0 -4.940 4.032 0.000 0.00 0.00 N+0 HETATM 39 C UNK 0 -3.400 1.365 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -2.630 2.698 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 2.126 -0.057 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 3.590 -0.533 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 4.924 0.237 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 6.258 -0.533 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 6.258 -2.073 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 7.591 -2.843 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 4.924 -2.843 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 3.590 -2.073 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 24 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 11 CONECT 10 9 CONECT 11 9 12 CONECT 12 11 13 23 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 21 CONECT 16 15 17 CONECT 17 16 18 19 20 CONECT 18 17 CONECT 19 17 CONECT 20 17 CONECT 21 15 22 23 CONECT 22 21 CONECT 23 21 12 CONECT 24 5 25 26 CONECT 25 24 CONECT 26 24 27 48 CONECT 27 26 28 41 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 CONECT 31 30 32 39 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 CONECT 35 34 36 39 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 CONECT 39 35 31 40 CONECT 40 39 CONECT 41 27 42 CONECT 42 41 43 48 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 CONECT 48 47 42 26 MASTER 0 0 0 0 0 0 0 0 48 0 102 0 END