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 O UNK 0 -9.336 -6.930 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 -6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 15 H UNK 0 -8.002 -6.160 0.000 0.00 0.00 H+0 HETATM 16 C UNK 0 -6.668 -5.390 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -8.002 -4.620 0.000 0.00 0.00 C+0 HETATM 18 H UNK 0 -9.542 -4.620 0.000 0.00 0.00 H+0 HETATM 19 C UNK 0 -8.002 -3.080 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 -9.336 -2.310 0.000 0.00 0.00 H+0 HETATM 21 C UNK 0 -6.668 -2.310 0.000 0.00 0.00 C+0 HETATM 22 H UNK 0 -6.668 -0.770 0.000 0.00 0.00 H+0 HETATM 23 C UNK 0 -5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 25 H UNK 0 -4.001 -0.770 0.000 0.00 0.00 H+0 HETATM 26 C UNK 0 -2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 27 H UNK 0 -2.667 -4.620 0.000 0.00 0.00 H+0 HETATM 28 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 29 N UNK 0 0.000 -3.080 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 2.667 -0.000 0.000 0.00 0.00 C+0 HETATM 33 H UNK 0 2.667 1.540 0.000 0.00 0.00 H+0 HETATM 34 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 35 H UNK 0 5.335 -0.000 0.000 0.00 0.00 H+0 HETATM 36 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 37 Cl UNK 0 5.335 -3.080 0.000 0.00 0.00 Cl+0 HETATM 38 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 39 H UNK 0 2.667 -4.620 0.000 0.00 0.00 H+0 HETATM 40 C UNK 0 0.000 -0.000 0.000 0.00 0.00 C+0 HETATM 41 H UNK 0 0.000 1.540 0.000 0.00 0.00 H+0 HETATM 42 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 43 H UNK 0 -2.667 0.000 0.000 0.00 0.00 H+0 HETATM 44 C UNK 0 -5.335 -4.620 0.000 0.00 0.00 C+0 HETATM 45 H UNK 0 -4.001 -5.390 0.000 0.00 0.00 H+0 HETATM 46 C UNK 0 -5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 47 H UNK 0 -6.424 -8.789 0.000 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.335 -6.160 0.000 0.00 0.00 H+0 HETATM 49 C UNK 0 -4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 50 H UNK 0 -2.667 -6.160 0.000 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.001 -8.470 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 -3.781 -7.497 0.000 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.637 -7.142 0.000 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.495 -10.035 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 14 CONECT 13 12 CONECT 14 12 15 16 46 CONECT 15 14 CONECT 16 14 17 44 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 21 CONECT 20 19 CONECT 21 19 22 23 CONECT 22 21 CONECT 23 21 24 44 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 28 CONECT 27 26 CONECT 28 26 29 42 CONECT 29 28 30 CONECT 30 29 31 38 CONECT 31 30 32 40 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 36 CONECT 35 34 CONECT 36 34 37 38 CONECT 37 36 CONECT 38 36 30 39 CONECT 39 38 CONECT 40 31 41 42 CONECT 41 40 CONECT 42 40 28 43 CONECT 43 42 CONECT 44 23 16 45 CONECT 45 44 CONECT 46 14 47 48 49 CONECT 47 46 CONECT 48 46 CONECT 49 46 50 51 52 CONECT 50 49 CONECT 51 49 CONECT 52 49 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