HEADER PROTEIN 17-JUN-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-JUN-22 0 HETATM 1 C UNK 0 -5.335 6.160 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.001 6.930 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.668 6.930 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 13.337 4.620 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 5.335 13.860 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 16.004 4.620 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 4.001 16.170 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.000 10.780 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 12.003 -0.770 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 10.669 15.400 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 9.336 8.470 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 4.001 8.470 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 14.670 3.850 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 5.335 15.400 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.001 8.470 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 13.337 6.160 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 4.001 13.090 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.000 9.240 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 10.669 9.240 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 5.335 9.240 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -6.668 8.470 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 16.004 6.160 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 2.667 15.400 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 13.337 0.000 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 9.336 16.170 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.335 9.240 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 14.670 6.930 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 2.667 13.860 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 14.670 -0.770 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 9.336 17.710 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 16.004 0.000 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 8.002 18.480 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 16.004 1.540 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 6.668 17.710 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 14.670 2.310 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 6.668 16.170 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.667 9.240 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 12.003 6.930 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 4.001 11.550 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 10.669 10.780 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 1.334 8.470 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 6.668 8.470 0.000 0.00 0.00 C+0 HETATM 43 N UNK 0 -1.334 8.470 0.000 0.00 0.00 N+0 HETATM 44 N UNK 0 12.003 8.470 0.000 0.00 0.00 N+0 HETATM 45 N UNK 0 5.335 10.780 0.000 0.00 0.00 N+0 HETATM 46 O UNK 0 -1.334 11.550 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 12.003 -2.310 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 10.669 13.860 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 -8.002 9.240 0.000 0.00 0.00 O-1 HETATM 50 O UNK 0 17.338 6.930 0.000 0.00 0.00 O-1 HETATM 51 O UNK 0 1.334 16.170 0.000 0.00 0.00 O-1 HETATM 52 O UNK 0 -5.335 10.780 0.000 0.00 0.00 O-1 HETATM 53 O UNK 0 14.670 8.470 0.000 0.00 0.00 O-1 HETATM 54 O UNK 0 1.334 13.090 0.000 0.00 0.00 O-1 HETATM 55 O UNK 0 14.670 -2.310 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 10.669 18.480 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 17.338 -0.770 0.000 0.00 0.00 O+0 HETATM 58 O UNK 0 8.002 20.020 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 17.338 2.310 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 5.335 18.480 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 -2.667 10.780 0.000 0.00 0.00 O-1 HETATM 62 O UNK 0 10.669 6.160 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 2.667 10.780 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 9.336 11.550 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 12.003 11.550 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 1.334 6.930 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 6.668 6.930 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 8.002 9.240 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 2.667 9.240 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 13.337 1.540 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 8.002 15.400 0.000 0.00 0.00 O+0 HETATM 72 Fe UNK 0 -9.336 10.010 0.000 0.00 0.00 Fe+3 HETATM 73 H UNK 0 1.334 10.010 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 9.336 10.010 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 5.335 7.700 0.000 0.00 0.00 H+0 HETATM 76 H UNK 0 13.337 -1.540 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 10.669 16.940 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 16.004 -1.540 0.000 0.00 0.00 H+0 HETATM 79 H UNK 0 9.336 19.250 0.000 0.00 0.00 H+0 HETATM 80 H UNK 0 17.338 0.770 0.000 0.00 0.00 H+0 HETATM 81 H UNK 0 8.002 16.940 0.000 0.00 0.00 H+0 HETATM 82 H UNK 0 14.670 0.770 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 6.668 19.250 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 16.004 3.080 0.000 0.00 0.00 H+0 HETATM 85 H UNK 0 5.335 16.940 0.000 0.00 0.00 H+0 CONECT 1 2 3 CONECT 2 1 15 CONECT 3 1 21 CONECT 4 13 16 CONECT 5 14 17 CONECT 6 13 22 CONECT 7 14 23 CONECT 8 18 46 CONECT 9 24 47 CONECT 10 25 48 CONECT 11 19 68 CONECT 12 20 69 CONECT 13 4 6 35 CONECT 14 5 7 36 CONECT 15 2 26 37 CONECT 16 4 27 38 CONECT 17 5 28 39 CONECT 18 8 41 43 73 CONECT 19 11 40 44 74 CONECT 20 12 42 45 75 CONECT 21 3 26 49 CONECT 22 6 27 50 CONECT 23 7 28 51 CONECT 24 9 29 70 76 CONECT 25 10 30 71 77 CONECT 26 15 21 52 CONECT 27 16 22 53 CONECT 28 17 23 54 CONECT 29 24 31 55 78 CONECT 30 25 32 56 79 CONECT 31 29 33 57 80 CONECT 32 30 34 58 81 CONECT 33 31 35 59 82 CONECT 34 32 36 60 83 CONECT 35 13 33 70 84 CONECT 36 14 34 71 85 CONECT 37 15 43 61 CONECT 38 16 44 62 CONECT 39 17 45 63 CONECT 40 19 64 65 CONECT 41 18 66 69 CONECT 42 20 67 68 CONECT 43 18 37 CONECT 44 19 38 CONECT 45 20 39 CONECT 46 8 CONECT 47 9 CONECT 48 10 CONECT 49 21 CONECT 50 22 CONECT 51 23 CONECT 52 26 CONECT 53 27 CONECT 54 28 CONECT 55 29 CONECT 56 30 CONECT 57 31 CONECT 58 32 CONECT 59 33 CONECT 60 34 CONECT 61 37 CONECT 62 38 CONECT 63 39 CONECT 64 40 CONECT 65 40 CONECT 66 41 CONECT 67 42 CONECT 68 11 42 CONECT 69 12 41 CONECT 70 24 35 CONECT 71 25 36 CONECT 73 18 CONECT 74 19 CONECT 75 20 CONECT 76 24 CONECT 77 25 CONECT 78 29 CONECT 79 30 CONECT 80 31 CONECT 81 32 CONECT 82 33 CONECT 83 34 CONECT 84 35 CONECT 85 36 MASTER 0 0 0 0 0 0 0 0 85 0 176 0 END