HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -0.300 3.305 1.535 0.00 0.00 C+0 HETATM 2 O UNK 0 0.326 3.187 2.808 0.00 0.00 O+0 HETATM 3 C UNK 0 0.518 1.874 3.217 0.00 0.00 C+0 HETATM 4 O UNK 0 -0.063 0.852 2.485 0.00 0.00 O+0 HETATM 5 C UNK 0 0.116 -0.474 2.845 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.600 -1.452 1.930 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.936 -0.984 1.355 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.543 -0.403 0.036 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.295 0.469 -0.656 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.946 1.079 -1.931 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.008 2.584 -1.933 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.673 0.316 -3.008 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.313 0.819 -4.335 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.210 0.663 -5.400 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.879 1.129 -6.676 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.640 1.749 -6.884 0.00 0.00 C+0 HETATM 17 N UNK 0 -0.288 2.240 -8.222 0.00 0.00 N+1 HETATM 18 O UNK 0 0.813 2.793 -8.363 0.00 0.00 O+0 HETATM 19 O UNK 0 -1.113 2.075 -9.132 0.00 0.00 O-1 HETATM 20 C UNK 0 0.267 1.903 -5.827 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.074 1.435 -4.555 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.173 -0.902 -0.295 0.00 0.00 C+0 HETATM 23 O UNK 0 0.237 -1.741 0.798 0.00 0.00 O+0 HETATM 24 C UNK 0 0.842 -0.837 3.920 0.00 0.00 C+0 HETATM 25 C UNK 0 1.142 -2.234 4.372 0.00 0.00 C+0 HETATM 26 C UNK 0 1.449 0.241 4.747 0.00 0.00 C+0 HETATM 27 O UNK 0 2.089 -0.026 5.761 0.00 0.00 O+0 HETATM 28 C UNK 0 1.252 1.644 4.316 0.00 0.00 C+0 HETATM 29 C UNK 0 1.902 2.695 5.160 0.00 0.00 C+0 HETATM 30 H UNK 0 -1.320 2.908 1.563 0.00 0.00 H+0 HETATM 31 H UNK 0 -0.357 4.368 1.284 0.00 0.00 H+0 HETATM 32 H UNK 0 0.292 2.805 0.760 0.00 0.00 H+0 HETATM 33 H UNK 0 -0.779 -2.393 2.460 0.00 0.00 H+0 HETATM 34 H UNK 0 -2.579 -1.854 1.172 0.00 0.00 H+0 HETATM 35 H UNK 0 -2.470 -0.288 2.009 0.00 0.00 H+0 HETATM 36 H UNK 0 -3.253 0.782 -0.243 0.00 0.00 H+0 HETATM 37 H UNK 0 -1.960 3.014 -2.938 0.00 0.00 H+0 HETATM 38 H UNK 0 -1.176 2.998 -1.355 0.00 0.00 H+0 HETATM 39 H UNK 0 -2.946 2.935 -1.488 0.00 0.00 H+0 HETATM 40 H UNK 0 -1.722 -0.769 -2.943 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.173 0.183 -5.240 0.00 0.00 H+0 HETATM 42 H UNK 0 -2.592 1.000 -7.487 0.00 0.00 H+0 HETATM 43 H UNK 0 1.234 2.379 -5.975 0.00 0.00 H+0 HETATM 44 H UNK 0 0.634 1.551 -3.736 0.00 0.00 H+0 HETATM 45 H UNK 0 0.546 -0.082 -0.387 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.157 -1.513 -1.201 0.00 0.00 H+0 HETATM 47 H UNK 0 2.212 -2.353 4.575 0.00 0.00 H+0 HETATM 48 H UNK 0 0.888 -2.991 3.627 0.00 0.00 H+0 HETATM 49 H UNK 0 0.590 -2.462 5.290 0.00 0.00 H+0 HETATM 50 H UNK 0 1.726 3.708 4.786 0.00 0.00 H+0 HETATM 51 H UNK 0 1.517 2.654 6.185 0.00 0.00 H+0 HETATM 52 H UNK 0 2.986 2.543 5.191 0.00 0.00 H+0 CONECT 1 2 30 31 32 CONECT 2 3 1 CONECT 3 28 4 2 CONECT 4 3 5 CONECT 5 4 6 24 CONECT 6 7 5 23 33 CONECT 7 8 6 34 35 CONECT 8 22 7 9 CONECT 9 8 10 36 CONECT 10 11 9 12 CONECT 11 10 37 38 39 CONECT 12 10 13 40 CONECT 13 14 21 12 CONECT 14 13 15 41 CONECT 15 14 16 42 CONECT 16 15 20 17 CONECT 17 16 19 18 CONECT 18 17 CONECT 19 17 CONECT 20 16 21 43 CONECT 21 20 13 44 CONECT 22 23 8 45 46 CONECT 23 22 6 CONECT 24 5 25 26 CONECT 25 24 47 48 49 CONECT 26 28 27 24 CONECT 27 26 CONECT 28 3 26 29 CONECT 29 28 50 51 52 CONECT 30 1 CONECT 31 1 CONECT 32 1 CONECT 33 6 CONECT 34 7 CONECT 35 7 CONECT 36 9 CONECT 37 11 CONECT 38 11 CONECT 39 11 CONECT 40 12 CONECT 41 14 CONECT 42 15 CONECT 43 20 CONECT 44 21 CONECT 45 22 CONECT 46 22 CONECT 47 25 CONECT 48 25 CONECT 49 25 CONECT 50 29 CONECT 51 29 CONECT 52 29 MASTER 0 0 0 0 0 0 0 0 52 0 108 0 END