HEADER PROTEIN 30-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 30-APR-22 0 HETATM 1 H UNK 0 21.045 3.782 0.000 0.00 0.00 H+0 HETATM 2 O UNK 0 19.712 3.012 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 19.712 1.472 0.000 0.00 0.00 C+0 HETATM 4 H UNK 0 21.045 2.242 0.000 0.00 0.00 H+0 HETATM 5 C UNK 0 21.045 0.702 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 21.045 -0.838 0.000 0.00 0.00 O+0 HETATM 7 N UNK 0 22.379 1.472 0.000 0.00 0.00 N+0 HETATM 8 H UNK 0 23.149 2.806 0.000 0.00 0.00 H+0 HETATM 9 C UNK 0 23.713 0.702 0.000 0.00 0.00 C+0 HETATM 10 H UNK 0 23.022 -0.674 0.000 0.00 0.00 H+0 HETATM 11 H UNK 0 24.404 -0.674 0.000 0.00 0.00 H+0 HETATM 12 C UNK 0 25.046 1.472 0.000 0.00 0.00 C+0 HETATM 13 H UNK 0 25.738 2.848 0.000 0.00 0.00 H+0 HETATM 14 H UNK 0 24.355 2.848 0.000 0.00 0.00 H+0 HETATM 15 C UNK 0 26.380 0.702 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 26.380 -0.838 0.000 0.00 0.00 O+0 HETATM 17 N UNK 0 27.714 1.472 0.000 0.00 0.00 N+0 HETATM 18 H UNK 0 27.714 3.012 0.000 0.00 0.00 H+0 HETATM 19 C UNK 0 29.047 0.702 0.000 0.00 0.00 C+0 HETATM 20 H UNK 0 28.356 -0.674 0.000 0.00 0.00 H+0 HETATM 21 H UNK 0 29.739 -0.674 0.000 0.00 0.00 H+0 HETATM 22 C UNK 0 30.381 1.472 0.000 0.00 0.00 C+0 HETATM 23 H UNK 0 31.072 2.848 0.000 0.00 0.00 H+0 HETATM 24 H UNK 0 29.690 2.848 0.000 0.00 0.00 H+0 HETATM 25 S UNK 0 31.715 0.702 0.000 0.00 0.00 S+0 HETATM 26 C UNK 0 33.049 1.472 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 33.049 3.012 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 34.382 0.702 0.000 0.00 0.00 C+0 HETATM 29 H UNK 0 33.691 -0.674 0.000 0.00 0.00 H+0 HETATM 30 H UNK 0 35.073 -0.674 0.000 0.00 0.00 H+0 HETATM 31 C UNK 0 35.716 1.472 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 36.486 0.138 0.000 0.00 0.00 O+0 HETATM 33 H UNK 0 37.973 -0.261 0.000 0.00 0.00 H+0 HETATM 34 C UNK 0 37.050 2.242 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 38.383 1.472 0.000 0.00 0.00 O-1 HETATM 36 O UNK 0 37.050 3.782 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 34.946 2.806 0.000 0.00 0.00 C+0 HETATM 38 H UNK 0 36.280 3.576 0.000 0.00 0.00 H+0 HETATM 39 H UNK 0 34.176 4.140 0.000 0.00 0.00 H+0 HETATM 40 H UNK 0 33.612 2.036 0.000 0.00 0.00 H+0 HETATM 41 C UNK 0 18.378 0.702 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 17.608 2.036 0.000 0.00 0.00 C+0 HETATM 43 H UNK 0 18.942 2.806 0.000 0.00 0.00 H+0 HETATM 44 H UNK 0 16.838 3.370 0.000 0.00 0.00 H+0 HETATM 45 H UNK 0 16.274 1.266 0.000 0.00 0.00 H+0 HETATM 46 C UNK 0 19.148 -0.632 0.000 0.00 0.00 C+0 HETATM 47 H UNK 0 17.814 -1.402 0.000 0.00 0.00 H+0 HETATM 48 H UNK 0 19.918 -1.965 0.000 0.00 0.00 H+0 HETATM 49 H UNK 0 20.482 0.138 0.000 0.00 0.00 H+0 HETATM 50 C UNK 0 17.044 -0.068 0.000 0.00 0.00 C+0 HETATM 51 H UNK 0 15.597 -0.595 0.000 0.00 0.00 H+0 HETATM 52 H UNK 0 16.518 -1.515 0.000 0.00 0.00 H+0 HETATM 53 O UNK 0 15.711 0.702 0.000 0.00 0.00 O+0 HETATM 54 P UNK 0 14.377 -0.068 0.000 0.00 0.00 P+0 HETATM 55 O UNK 0 13.607 1.266 0.000 0.00 0.00 O-1 HETATM 56 O UNK 0 15.147 -1.402 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 13.043 -0.838 0.000 0.00 0.00 O+0 HETATM 58 P UNK 0 11.710 -0.068 0.000 0.00 0.00 P+0 HETATM 59 O UNK 0 12.480 1.266 0.000 0.00 0.00 O-1 HETATM 60 O UNK 0 10.940 -1.402 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 10.376 0.702 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 9.042 -0.068 0.000 0.00 0.00 C+0 HETATM 63 H UNK 0 8.351 -1.444 0.000 0.00 0.00 H+0 HETATM 64 H UNK 0 9.733 -1.444 0.000 0.00 0.00 H+0 HETATM 65 C UNK 0 7.709 0.702 0.000 0.00 0.00 C+0 HETATM 66 H UNK 0 9.000 1.541 0.000 0.00 0.00 H+0 HETATM 67 O UNK 0 6.302 0.076 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 5.271 1.220 0.000 0.00 0.00 C+0 HETATM 69 H UNK 0 4.433 2.512 0.000 0.00 0.00 H+0 HETATM 70 N UNK 0 3.740 1.059 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 2.970 -0.274 0.000 0.00 0.00 C+0 HETATM 72 H UNK 0 3.596 -1.681 0.000 0.00 0.00 H+0 HETATM 73 N UNK 0 1.463 0.046 0.000 0.00 0.00 N+0 HETATM 74 C UNK 0 1.302 1.577 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 0.057 2.483 0.000 0.00 0.00 C+0 HETATM 76 N UNK 0 0.217 4.014 0.000 0.00 0.00 N+0 HETATM 77 C UNK 0 1.624 4.640 0.000 0.00 0.00 C+0 HETATM 78 H UNK 0 1.785 6.172 0.000 0.00 0.00 H+0 HETATM 79 N UNK 0 2.870 3.735 0.000 0.00 0.00 N+0 HETATM 80 C UNK 0 2.709 2.204 0.000 0.00 0.00 C+0 HETATM 81 N UNK 0 -1.350 1.856 0.000 0.00 0.00 N+0 HETATM 82 H UNK 0 -2.596 2.761 0.000 0.00 0.00 H+0 HETATM 83 H UNK 0 -1.511 0.325 0.000 0.00 0.00 H+0 HETATM 84 C UNK 0 6.041 2.554 0.000 0.00 0.00 C+0 HETATM 85 H UNK 0 7.010 3.751 0.000 0.00 0.00 H+0 HETATM 86 O UNK 0 5.415 3.961 0.000 0.00 0.00 O+0 HETATM 87 H UNK 0 4.784 5.366 0.000 0.00 0.00 H+0 HETATM 88 C UNK 0 7.548 2.234 0.000 0.00 0.00 C+0 HETATM 89 H UNK 0 6.403 1.203 0.000 0.00 0.00 H+0 HETATM 90 O UNK 0 8.692 3.264 0.000 0.00 0.00 O+0 HETATM 91 P UNK 0 10.157 2.788 0.000 0.00 0.00 P+0 HETATM 92 O UNK 0 9.681 1.324 0.000 0.00 0.00 O-1 HETATM 93 O UNK 0 10.633 4.253 0.000 0.00 0.00 O-1 HETATM 94 O UNK 0 11.621 2.312 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 41 CONECT 4 3 CONECT 5 3 6 7 CONECT 6 5 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 7 10 11 12 CONECT 10 9 CONECT 11 9 CONECT 12 9 13 14 15 CONECT 13 12 CONECT 14 12 CONECT 15 12 16 17 CONECT 16 15 CONECT 17 15 18 19 CONECT 18 17 CONECT 19 17 20 21 22 CONECT 20 19 CONECT 21 19 CONECT 22 19 23 24 25 CONECT 23 22 CONECT 24 22 CONECT 25 22 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 30 31 CONECT 29 28 CONECT 30 28 CONECT 31 28 32 34 37 CONECT 32 31 33 CONECT 33 32 CONECT 34 31 35 36 CONECT 35 34 CONECT 36 34 CONECT 37 31 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 CONECT 41 3 42 46 50 CONECT 42 41 43 44 45 CONECT 43 42 CONECT 44 42 CONECT 45 42 CONECT 46 41 47 48 49 CONECT 47 46 CONECT 48 46 CONECT 49 46 CONECT 50 41 51 52 53 CONECT 51 50 CONECT 52 50 CONECT 53 50 54 CONECT 54 53 55 56 57 CONECT 55 54 CONECT 56 54 CONECT 57 54 58 CONECT 58 57 59 60 61 CONECT 59 58 CONECT 60 58 CONECT 61 58 62 CONECT 62 61 63 64 65 CONECT 63 62 CONECT 64 62 CONECT 65 62 66 67 88 CONECT 66 65 CONECT 67 65 68 CONECT 68 67 69 70 84 CONECT 69 68 CONECT 70 68 71 80 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 74 CONECT 74 73 75 80 CONECT 75 74 76 81 CONECT 76 75 77 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 80 CONECT 80 79 70 74 CONECT 81 75 82 83 CONECT 82 81 CONECT 83 81 CONECT 84 68 85 86 88 CONECT 85 84 CONECT 86 84 87 CONECT 87 86 CONECT 88 84 65 89 90 CONECT 89 88 CONECT 90 88 91 CONECT 91 90 92 93 94 CONECT 92 91 CONECT 93 91 CONECT 94 91 MASTER 0 0 0 0 0 0 0 0 94 0 192 0 END