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 -3.080 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.335 -1.540 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.001 -3.850 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 4.001 5.390 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -8.002 7.700 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 5.335 7.700 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -9.336 10.010 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -14.670 8.470 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.001 2.310 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.000 4.620 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.001 6.930 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 5.335 6.160 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -9.336 8.470 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 2.667 6.160 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.668 8.470 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.667 3.080 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.334 5.390 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -4.001 5.390 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 4.001 8.470 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.002 10.780 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 8.002 3.080 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -13.337 7.700 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.667 -1.540 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 2.667 7.700 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.668 10.010 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 9.336 3.850 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -13.337 6.160 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 9.336 5.390 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -12.003 5.390 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 8.002 6.160 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -10.669 6.160 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 6.668 5.390 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -10.669 7.700 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -4.001 0.770 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 1.334 5.390 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -5.335 7.700 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -5.335 4.620 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -1.334 6.930 0.000 0.00 0.00 C+0 HETATM 43 N UNK 0 -2.667 1.540 0.000 0.00 0.00 N+0 HETATM 44 N UNK 0 -0.000 6.160 0.000 0.00 0.00 N+0 HETATM 45 N UNK 0 -5.335 6.160 0.000 0.00 0.00 N+0 HETATM 46 O UNK 0 9.336 0.770 0.000 0.00 0.00 O+0 HETATM 47 O UNK 0 -16.004 7.700 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 -1.334 -3.850 0.000 0.00 0.00 O-1 HETATM 49 O UNK 0 4.001 10.010 0.000 0.00 0.00 O-1 HETATM 50 O UNK 0 -8.002 12.320 0.000 0.00 0.00 O-1 HETATM 51 O UNK 0 -1.334 -0.770 0.000 0.00 0.00 O-1 HETATM 52 O UNK 0 1.334 8.470 0.000 0.00 0.00 O-1 HETATM 53 O UNK 0 -5.335 10.780 0.000 0.00 0.00 O-1 HETATM 54 O UNK 0 10.669 3.080 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 -14.670 5.390 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 10.669 6.160 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 -12.003 3.850 0.000 0.00 0.00 O+0 HETATM 58 O UNK 0 8.002 7.700 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 -9.336 5.390 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 -5.335 1.540 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 1.334 3.850 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 -4.001 8.470 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 -1.334 0.770 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 -6.668 5.390 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 -0.000 7.700 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 -5.335 3.080 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 -0.000 3.080 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 -2.667 7.700 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 6.668 3.850 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 -12.003 8.470 0.000 0.00 0.00 O+0 HETATM 71 Fe UNK 0 -0.000 -4.620 0.000 0.00 0.00 Fe+3 HETATM 72 H UNK 0 -2.667 4.620 0.000 0.00 0.00 H+0 HETATM 73 H UNK 0 -1.334 3.850 0.000 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.667 6.160 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 9.336 2.310 0.000 0.00 0.00 H+0 HETATM 76 H UNK 0 -14.670 6.930 0.000 0.00 0.00 H+0 HETATM 77 H UNK 0 10.669 4.620 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 -13.337 4.620 0.000 0.00 0.00 H+0 HETATM 79 H UNK 0 8.002 4.620 0.000 0.00 0.00 H+0 HETATM 80 H UNK 0 -12.003 6.930 0.000 0.00 0.00 H+0 HETATM 81 H UNK 0 9.336 6.930 0.000 0.00 0.00 H+0 HETATM 82 H UNK 0 -10.669 4.620 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 6.668 6.930 0.000 0.00 0.00 H+0 HETATM 84 H UNK 0 -9.336 6.930 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 24 46 CONECT 9 25 47 CONECT 10 18 66 CONECT 11 19 67 CONECT 12 20 68 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 10 40 43 72 CONECT 19 11 42 44 73 CONECT 20 12 41 45 74 CONECT 21 3 26 48 CONECT 22 6 27 49 CONECT 23 7 28 50 CONECT 24 8 29 69 75 CONECT 25 9 30 70 76 CONECT 26 15 21 51 CONECT 27 16 22 52 CONECT 28 17 23 53 CONECT 29 24 31 54 77 CONECT 30 25 32 55 78 CONECT 31 29 33 56 79 CONECT 32 30 34 57 80 CONECT 33 31 35 58 81 CONECT 34 32 36 59 82 CONECT 35 13 33 69 83 CONECT 36 14 34 70 84 CONECT 37 15 43 60 CONECT 38 16 44 61 CONECT 39 17 45 62 CONECT 40 18 63 67 CONECT 41 20 64 66 CONECT 42 19 65 68 CONECT 43 18 37 CONECT 44 19 38 CONECT 45 20 39 CONECT 46 8 CONECT 47 9 CONECT 48 21 CONECT 49 22 CONECT 50 23 CONECT 51 26 CONECT 52 27 CONECT 53 28 CONECT 54 29 CONECT 55 30 CONECT 56 31 CONECT 57 32 CONECT 58 33 CONECT 59 34 CONECT 60 37 CONECT 61 38 CONECT 62 39 CONECT 63 40 CONECT 64 41 CONECT 65 42 CONECT 66 10 41 CONECT 67 11 40 CONECT 68 12 42 CONECT 69 24 35 CONECT 70 25 36 CONECT 72 18 CONECT 73 19 CONECT 74 20 CONECT 75 24 CONECT 76 25 CONECT 77 29 CONECT 78 30 CONECT 79 31 CONECT 80 32 CONECT 81 33 CONECT 82 34 CONECT 83 35 CONECT 84 36 MASTER 0 0 0 0 0 0 0 0 84 0 176 0 END