HEADER PROTEIN 29-SEP-15 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-SEP-15 0 HETATM 1 C UNK 0 -23.345 -1.288 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -23.345 -2.850 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -22.018 -3.631 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -20.690 -2.850 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -20.690 -1.288 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -22.018 -0.507 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -19.363 -3.631 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -18.036 -2.850 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -18.036 -1.288 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -19.363 -0.507 0.000 0.00 0.00 C+0 HETATM 11 N UNK 0 -15.381 -3.240 0.000 0.00 0.00 N+0 HETATM 12 C UNK 0 -15.381 -1.288 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -16.708 -0.507 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -14.054 -4.021 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 -12.726 -1.288 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 -14.054 -0.507 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -10.072 -2.850 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -10.072 -1.288 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -11.399 -0.507 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -7.339 -3.006 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -7.339 -1.288 0.000 0.00 0.00 C+0 HETATM 22 N UNK 0 -8.666 -0.507 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 -4.685 -1.288 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 -6.012 -0.507 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -2.030 -2.850 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -2.030 -1.288 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.357 -0.507 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 0.625 -2.928 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 0.625 -1.288 0.000 0.00 0.00 C+0 HETATM 30 N UNK 0 -0.703 -0.507 0.000 0.00 0.00 N+0 HETATM 31 O UNK 0 -14.054 0.976 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 -11.399 2.225 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -6.012 0.976 0.000 0.00 0.00 O+0 HETATM 34 N UNK 0 3.279 -1.288 0.000 0.00 0.00 N+0 HETATM 35 C UNK 0 1.952 -0.507 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 5.934 -2.850 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 5.934 -1.288 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 4.606 -0.507 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 8.666 -3.240 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 8.666 -1.288 0.000 0.00 0.00 C+0 HETATM 41 N UNK 0 7.339 -0.507 0.000 0.00 0.00 N+0 HETATM 42 N UNK 0 11.321 -1.288 0.000 0.00 0.00 N+0 HETATM 43 C UNK 0 9.994 -0.507 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 13.976 -2.850 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 13.976 -1.288 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 12.648 -0.507 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 1.952 0.976 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 9.994 0.976 0.000 0.00 0.00 O+0 HETATM 49 N UNK 0 15.303 -0.507 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 16.474 -1.444 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 17.723 -0.585 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 17.333 0.898 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 15.850 0.898 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -12.726 -3.240 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 -14.054 -5.504 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 -12.726 3.006 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -12.726 4.567 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -14.054 5.348 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -15.381 4.567 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -15.381 3.006 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -14.054 2.225 0.000 0.00 0.00 C+0 HETATM 62 Cl UNK 0 -16.708 5.348 0.000 0.00 0.00 Cl+0 HETATM 63 C UNK 0 16.474 -3.006 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 15.147 -3.787 0.000 0.00 0.00 O+0 HETATM 65 N UNK 0 17.880 -3.787 0.000 0.00 0.00 N+0 HETATM 66 C UNK 0 19.207 -3.006 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 20.456 -3.787 0.000 0.00 0.00 C+0 HETATM 68 N UNK 0 21.783 -3.006 0.000 0.00 0.00 N+0 HETATM 69 O UNK 0 20.456 -5.270 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 19.207 -1.444 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 9.994 -4.021 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 11.321 -3.240 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 9.994 -5.504 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 1.952 -3.709 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 1.952 -5.192 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 3.279 -5.973 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 4.685 -5.192 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 4.685 -3.709 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 3.279 -2.928 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 6.012 -5.973 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 -6.012 -3.787 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -6.012 -5.270 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -4.685 -6.051 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 -3.357 -5.270 0.000 0.00 0.00 C+0 HETATM 85 N UNK 0 -3.357 -3.787 0.000 0.00 0.00 N+0 HETATM 86 C UNK 0 -4.685 -3.006 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 4.606 2.928 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 3.279 3.709 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 -3.357 1.054 0.000 0.00 0.00 C+0 HETATM 90 O UNK 0 -1.952 1.835 0.000 0.00 0.00 O+0 HETATM 91 C UNK 0 12.648 1.444 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 14.054 2.225 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 1.952 2.928 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 0.625 3.709 0.000 0.00 0.00 C+0 HETATM 95 N UNK 0 -0.703 2.928 0.000 0.00 0.00 N+0 HETATM 96 C UNK 0 -2.030 3.709 0.000 0.00 0.00 C+0 HETATM 97 N UNK 0 -3.357 2.928 0.000 0.00 0.00 N+0 HETATM 98 N UNK 0 -2.030 5.270 0.000 0.00 0.00 N+0 HETATM 99 C UNK 0 -4.685 3.709 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 -6.012 2.928 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 -3.357 6.051 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 -4.685 5.270 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 15.381 1.444 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 16.708 2.225 0.000 0.00 0.00 C+0 HETATM 105 N UNK 0 18.036 1.444 0.000 0.00 0.00 N+0 HETATM 106 C UNK 0 19.363 2.225 0.000 0.00 0.00 C+0 HETATM 107 N UNK 0 20.690 1.444 0.000 0.00 0.00 N+0 HETATM 108 C UNK 0 22.018 2.225 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 23.345 1.444 0.000 0.00 0.00 C+0 HETATM 110 N UNK 0 19.363 3.787 0.000 0.00 0.00 N+0 HETATM 111 C UNK 0 20.690 4.567 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 22.018 3.787 0.000 0.00 0.00 C+0 CONECT 1 2 6 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 7 CONECT 5 4 6 10 CONECT 6 5 1 CONECT 7 4 8 CONECT 8 7 9 CONECT 9 8 10 13 CONECT 10 9 5 CONECT 11 12 14 CONECT 12 11 13 16 CONECT 13 12 9 CONECT 14 11 54 55 CONECT 15 16 19 CONECT 16 15 12 31 CONECT 17 18 CONECT 18 17 19 22 CONECT 19 18 15 32 CONECT 20 21 81 CONECT 21 20 22 24 CONECT 22 21 18 CONECT 23 24 27 CONECT 24 23 21 33 CONECT 25 26 CONECT 26 25 27 30 CONECT 27 26 23 89 CONECT 28 29 74 CONECT 29 28 30 35 CONECT 30 29 26 CONECT 31 16 CONECT 32 19 56 CONECT 33 24 CONECT 34 35 38 CONECT 35 34 29 47 CONECT 36 37 CONECT 37 36 38 41 CONECT 38 37 34 87 CONECT 39 40 71 CONECT 40 39 41 43 CONECT 41 40 37 CONECT 42 43 46 CONECT 43 42 40 48 CONECT 44 45 CONECT 45 44 46 49 CONECT 46 45 42 91 CONECT 47 35 CONECT 48 43 CONECT 49 45 50 53 CONECT 50 49 51 63 CONECT 51 50 52 CONECT 52 51 53 CONECT 53 52 49 CONECT 54 14 CONECT 55 14 CONECT 56 32 57 61 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 62 CONECT 60 59 61 CONECT 61 60 56 CONECT 62 59 CONECT 63 50 64 65 CONECT 64 63 CONECT 65 63 66 CONECT 66 65 67 70 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 CONECT 70 66 CONECT 71 39 72 73 CONECT 72 71 CONECT 73 71 CONECT 74 28 75 79 CONECT 75 74 76 CONECT 76 75 77 CONECT 77 76 78 80 CONECT 78 77 79 CONECT 79 78 74 CONECT 80 77 CONECT 81 20 82 86 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 85 CONECT 85 84 86 CONECT 86 85 81 CONECT 87 38 88 CONECT 88 87 93 CONECT 89 27 90 CONECT 90 89 CONECT 91 46 92 CONECT 92 91 103 CONECT 93 88 94 CONECT 94 93 95 CONECT 95 94 96 CONECT 96 95 97 98 CONECT 97 96 99 CONECT 98 96 101 CONECT 99 97 100 CONECT 100 99 CONECT 101 98 102 CONECT 102 101 CONECT 103 92 104 CONECT 104 103 105 CONECT 105 104 106 CONECT 106 105 107 110 CONECT 107 106 108 CONECT 108 107 109 CONECT 109 108 CONECT 110 106 111 CONECT 111 110 112 CONECT 112 111 MASTER 0 0 0 0 0 0 0 0 112 0 234 0 END