HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Chebulinic acid SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 31.435 -21.905 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 29.983 -21.905 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 31.066 -18.891 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 32.391 -18.107 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 29.746 -18.107 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 32.391 -16.591 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 33.726 -18.950 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 29.746 -16.591 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 31.060 -20.486 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 31.066 -15.828 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 33.733 -15.828 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 33.726 -20.489 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 28.431 -15.828 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 27.555 -21.818 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 35.061 -15.067 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 35.046 -21.250 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 32.398 -21.250 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 27.255 -16.816 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 25.950 -21.836 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 27.977 -23.056 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 36.381 -15.835 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 35.067 -13.543 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 36.374 -20.489 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 25.927 -16.038 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 25.950 -23.397 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 24.640 -21.067 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 36.381 -17.379 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 37.729 -15.074 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 37.722 -21.250 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 24.615 -16.816 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 25.927 -14.507 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 24.640 -24.163 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 23.291 -21.836 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 37.729 -18.154 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 39.041 -15.835 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 37.722 -22.795 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 39.034 -20.482 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 24.615 -18.361 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 23.295 -16.038 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 23.291 -23.397 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 24.646 -25.695 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 21.963 -21.067 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 39.014 -17.324 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 37.729 -19.686 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 40.369 -15.074 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 39.041 -23.566 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 23.295 -19.143 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 21.947 -16.816 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 21.963 -24.143 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 40.376 -18.127 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 21.947 -18.361 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 23.295 -20.586 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 20.619 -16.031 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 20.612 -19.123 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 36.374 -23.586 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 35.055 -22.791 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 33.715 -23.550 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 33.775 -25.080 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 35.013 -25.859 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 36.353 -25.116 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 35.072 -27.451 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 28.357 -18.899 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 32.299 -25.854 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 29.989 -23.519 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 28.691 -24.437 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 28.696 -25.932 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 27.405 -26.684 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 29.991 -26.676 0.000 0.00 0.00 O+0 HETATM 69 H UNK 0 33.364 -22.291 0.000 0.00 0.00 H+0 CONECT 1 2 CONECT 2 1 62 64 CONECT 3 4 5 9 CONECT 4 3 6 7 CONECT 5 3 8 62 CONECT 6 4 10 11 CONECT 7 4 12 CONECT 8 10 5 13 CONECT 9 3 14 CONECT 10 8 6 CONECT 11 6 15 CONECT 12 17 7 16 CONECT 13 18 8 CONECT 14 19 20 9 CONECT 15 21 22 11 CONECT 16 56 23 12 CONECT 17 12 CONECT 18 13 24 CONECT 19 14 25 26 CONECT 20 14 CONECT 21 15 27 28 CONECT 22 15 CONECT 23 16 29 CONECT 24 18 30 31 CONECT 25 19 32 CONECT 26 19 33 CONECT 27 21 34 CONECT 28 21 35 CONECT 29 23 37 36 CONECT 30 24 38 39 CONECT 31 24 CONECT 32 25 40 41 CONECT 33 26 42 40 CONECT 34 27 43 44 CONECT 35 28 45 43 CONECT 36 55 46 29 CONECT 37 29 CONECT 38 30 47 CONECT 39 30 48 CONECT 40 32 49 33 CONECT 41 32 CONECT 42 33 CONECT 43 34 50 35 CONECT 44 34 CONECT 45 35 CONECT 46 36 CONECT 47 38 51 52 CONECT 48 39 53 51 CONECT 49 40 CONECT 50 43 CONECT 51 47 54 48 CONECT 52 47 CONECT 53 48 CONECT 54 51 CONECT 55 36 56 60 CONECT 56 16 55 57 CONECT 57 56 58 64 69 CONECT 58 57 59 63 CONECT 59 58 60 61 CONECT 60 59 55 CONECT 61 59 CONECT 62 5 2 CONECT 63 58 CONECT 64 57 2 65 CONECT 65 64 66 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 CONECT 69 57 MASTER 0 0 0 0 0 0 0 0 69 0 150 0 END