HEADER PROTEIN 26-OCT-17 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-OCT-17 0 HETATM 1 H UNK 0 -5.335 -9.240 0.000 0.00 0.00 H+0 HETATM 2 O UNK 0 -4.001 -10.010 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 -2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 -1.821 -10.527 0.000 0.00 0.00 H+0 HETATM 5 H UNK 0 -1.130 -9.330 0.000 0.00 0.00 H+0 HETATM 6 C UNK 0 -2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 7 H UNK 0 -3.514 -6.413 0.000 0.00 0.00 H+0 HETATM 8 H UNK 0 -4.205 -7.610 0.000 0.00 0.00 H+0 HETATM 9 N UNK 0 -1.334 -6.930 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 11 H UNK 0 -2.180 -4.103 0.000 0.00 0.00 H+0 HETATM 12 H UNK 0 -2.871 -5.300 0.000 0.00 0.00 H+0 HETATM 13 C UNK 0 -0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 14 H UNK 0 0.691 -3.244 0.000 0.00 0.00 H+0 HETATM 15 H UNK 0 -0.691 -3.244 0.000 0.00 0.00 H+0 HETATM 16 N UNK 0 1.334 -5.390 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 18 H UNK 0 3.514 -5.907 0.000 0.00 0.00 H+0 HETATM 19 H UNK 0 4.205 -4.710 0.000 0.00 0.00 H+0 HETATM 20 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 21 H UNK 0 1.821 -1.793 0.000 0.00 0.00 H+0 HETATM 22 H UNK 0 1.130 -2.990 0.000 0.00 0.00 H+0 HETATM 23 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 24 H UNK 0 4.847 -3.597 0.000 0.00 0.00 H+0 HETATM 25 H UNK 0 5.538 -2.400 0.000 0.00 0.00 H+0 HETATM 26 N UNK 0 4.001 -0.770 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 5.335 -0.000 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 29 H UNK 0 6.668 -2.310 0.000 0.00 0.00 H+0 HETATM 30 C UNK 0 8.002 0.000 0.000 0.00 0.00 C+0 HETATM 31 H UNK 0 9.336 -0.770 0.000 0.00 0.00 H+0 HETATM 32 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 33 H UNK 0 9.336 2.310 0.000 0.00 0.00 H+0 HETATM 34 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 35 H UNK 0 6.668 3.850 0.000 0.00 0.00 H+0 HETATM 36 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 37 S UNK 0 4.001 2.310 0.000 0.00 0.00 S+0 HETATM 38 O UNK 0 4.001 3.850 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 0.203 -1.815 0.000 0.00 0.00 H+0 HETATM 43 C UNK 0 0.000 -0.000 0.000 0.00 0.00 C+0 HETATM 44 Cl UNK 0 -1.334 -0.770 0.000 0.00 0.00 Cl+0 HETATM 45 C UNK 0 0.000 1.540 0.000 0.00 0.00 C+0 HETATM 46 H UNK 0 -1.334 2.310 0.000 0.00 0.00 H+0 HETATM 47 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 48 H UNK 0 1.334 3.850 0.000 0.00 0.00 H+0 HETATM 49 C UNK 0 1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 50 H UNK 0 2.180 -8.217 0.000 0.00 0.00 H+0 HETATM 51 H UNK 0 2.871 -7.020 0.000 0.00 0.00 H+0 HETATM 52 C UNK 0 -0.000 -7.700 0.000 0.00 0.00 C+0 HETATM 53 H UNK 0 -0.691 -9.076 0.000 0.00 0.00 H+0 HETATM 54 H UNK 0 0.691 -9.076 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 7 8 9 CONECT 7 6 CONECT 8 6 CONECT 9 6 10 52 CONECT 10 9 11 12 13 CONECT 11 10 CONECT 12 10 CONECT 13 10 14 15 16 CONECT 14 13 CONECT 15 13 CONECT 16 13 17 49 CONECT 17 16 18 19 20 CONECT 18 17 CONECT 19 17 CONECT 20 17 21 22 23 CONECT 21 20 CONECT 22 20 CONECT 23 20 24 25 26 CONECT 24 23 CONECT 25 23 CONECT 26 23 27 40 CONECT 27 26 28 36 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 32 CONECT 31 30 CONECT 32 30 33 34 CONECT 33 32 CONECT 34 32 35 36 CONECT 35 34 CONECT 36 34 27 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 47 CONECT 40 39 26 41 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 45 CONECT 44 43 CONECT 45 43 46 47 CONECT 46 45 CONECT 47 45 39 48 CONECT 48 47 CONECT 49 16 50 51 52 CONECT 50 49 CONECT 51 49 CONECT 52 49 9 53 54 CONECT 53 52 CONECT 54 52 MASTER 0 0 0 0 0 0 0 0 54 0 114 0 END