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 -7.756 -14.351 0.000 0.00 0.00 H+0 HETATM 2 O UNK 0 -6.766 -13.172 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 -7.292 -11.725 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -6.303 -10.545 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 -8.809 -11.457 0.000 0.00 0.00 C+0 HETATM 6 H UNK 0 -10.223 -12.067 0.000 0.00 0.00 H+0 HETATM 7 H UNK 0 -9.164 -12.956 0.000 0.00 0.00 H+0 HETATM 8 C UNK 0 -9.336 -10.010 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -8.002 -9.240 0.000 0.00 0.00 C+0 HETATM 10 H UNK 0 -7.156 -10.527 0.000 0.00 0.00 H+0 HETATM 11 H UNK 0 -6.465 -9.330 0.000 0.00 0.00 H+0 HETATM 12 S UNK 0 -8.002 -7.700 0.000 0.00 0.00 S+0 HETATM 13 C UNK 0 -6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 14 H UNK 0 -8.002 -6.160 0.000 0.00 0.00 H+0 HETATM 15 C UNK 0 -6.668 -5.390 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -8.002 -4.620 0.000 0.00 0.00 C+0 HETATM 17 H UNK 0 -9.542 -4.620 0.000 0.00 0.00 H+0 HETATM 18 C UNK 0 -8.002 -3.080 0.000 0.00 0.00 C+0 HETATM 19 H UNK 0 -9.336 -2.310 0.000 0.00 0.00 H+0 HETATM 20 C UNK 0 -6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 21 H UNK 0 -6.668 -0.770 0.000 0.00 0.00 H+0 HETATM 22 C UNK 0 -5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 24 H UNK 0 -4.001 -0.770 0.000 0.00 0.00 H+0 HETATM 25 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 26 H UNK 0 -2.667 -4.620 0.000 0.00 0.00 H+0 HETATM 27 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 28 N UNK 0 0.000 -3.080 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 2.667 -0.000 0.000 0.00 0.00 C+0 HETATM 32 H UNK 0 2.667 1.540 0.000 0.00 0.00 H+0 HETATM 33 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 34 H UNK 0 5.335 -0.000 0.000 0.00 0.00 H+0 HETATM 35 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 36 Cl UNK 0 5.335 -3.080 0.000 0.00 0.00 Cl+0 HETATM 37 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 38 H UNK 0 2.667 -4.620 0.000 0.00 0.00 H+0 HETATM 39 C UNK 0 0.000 -0.000 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 0.000 1.540 0.000 0.00 0.00 H+0 HETATM 41 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 -2.667 0.000 0.000 0.00 0.00 H+0 HETATM 43 C UNK 0 -5.335 -4.620 0.000 0.00 0.00 C+0 HETATM 44 H UNK 0 -5.335 -6.160 0.000 0.00 0.00 H+0 HETATM 45 C UNK 0 -5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 46 H UNK 0 -6.782 -8.227 0.000 0.00 0.00 H+0 HETATM 47 H UNK 0 -5.861 -9.147 0.000 0.00 0.00 H+0 HETATM 48 C UNK 0 -4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 49 H UNK 0 -2.667 -6.160 0.000 0.00 0.00 H+0 HETATM 50 O UNK 0 -4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 51 H UNK 0 -4.001 -3.850 0.000 0.00 0.00 H+0 HETATM 52 C UNK 0 -2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 54 H UNK 0 -0.564 -5.596 0.000 0.00 0.00 H+0 HETATM 55 C UNK 0 -0.000 -7.700 0.000 0.00 0.00 C+0 HETATM 56 H UNK 0 1.334 -6.930 0.000 0.00 0.00 H+0 HETATM 57 C UNK 0 -0.000 -9.240 0.000 0.00 0.00 C+0 HETATM 58 H UNK 0 1.334 -10.010 0.000 0.00 0.00 H+0 HETATM 59 C UNK 0 -1.334 -10.010 0.000 0.00 0.00 C+0 HETATM 60 H UNK 0 -1.334 -11.550 0.000 0.00 0.00 H+0 HETATM 61 C UNK 0 -2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 -5.335 -10.780 0.000 0.00 0.00 O+0 HETATM 64 H UNK 0 -5.116 -12.304 0.000 0.00 0.00 H+0 HETATM 65 C UNK 0 -4.771 -8.676 0.000 0.00 0.00 C+0 HETATM 66 H UNK 0 -3.284 -9.075 0.000 0.00 0.00 H+0 HETATM 67 H UNK 0 -3.437 -7.906 0.000 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.372 -7.189 0.000 0.00 0.00 H+0 HETATM 69 C UNK 0 -3.231 -11.344 0.000 0.00 0.00 C+0 HETATM 70 H UNK 0 -4.565 -12.114 0.000 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.461 -12.677 0.000 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.897 -10.574 0.000 0.00 0.00 H+0 HETATM 73 C UNK 0 -10.852 -10.277 0.000 0.00 0.00 C+0 HETATM 74 H UNK 0 -12.382 -10.456 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 -11.294 -11.753 0.000 0.00 0.00 H+0 HETATM 76 C UNK 0 -10.326 -8.830 0.000 0.00 0.00 C+0 HETATM 77 H UNK 0 -9.716 -7.416 0.000 0.00 0.00 H+0 HETATM 78 H UNK 0 -11.382 -7.710 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 7 8 CONECT 6 5 CONECT 7 5 CONECT 8 5 9 73 76 CONECT 9 8 10 11 12 CONECT 10 9 CONECT 11 9 CONECT 12 9 13 CONECT 13 12 14 15 45 CONECT 14 13 CONECT 15 13 16 43 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 20 CONECT 19 18 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 43 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 27 CONECT 26 25 CONECT 27 25 28 41 CONECT 28 27 29 CONECT 29 28 30 37 CONECT 30 29 31 39 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 35 CONECT 34 33 CONECT 35 33 36 37 CONECT 36 35 CONECT 37 35 29 38 CONECT 38 37 CONECT 39 30 40 41 CONECT 40 39 CONECT 41 39 27 42 CONECT 42 41 CONECT 43 22 15 44 CONECT 44 43 CONECT 45 13 46 47 48 CONECT 46 45 CONECT 47 45 CONECT 48 45 49 50 52 CONECT 49 48 CONECT 50 48 51 CONECT 51 50 CONECT 52 48 53 61 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 56 57 CONECT 56 55 CONECT 57 55 58 59 CONECT 58 57 CONECT 59 57 60 61 CONECT 60 59 CONECT 61 59 52 62 CONECT 62 61 63 65 69 CONECT 63 62 64 CONECT 64 63 CONECT 65 62 66 67 68 CONECT 66 65 CONECT 67 65 CONECT 68 65 CONECT 69 62 70 71 72 CONECT 70 69 CONECT 71 69 CONECT 72 69 CONECT 73 8 74 75 76 CONECT 74 73 CONECT 75 73 CONECT 76 73 8 77 78 CONECT 77 76 CONECT 78 76 MASTER 0 0 0 0 0 0 0 0 78 0 164 0 END