HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: casuarinin.cdx SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 9.816 -16.155 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 9.816 -17.694 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 11.150 -18.464 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 12.483 -17.694 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 12.483 -16.155 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 11.150 -15.384 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 11.150 -13.845 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 12.483 -13.074 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 12.483 -11.535 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 11.150 -10.764 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 9.816 -11.535 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 9.816 -13.074 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 13.817 -18.464 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 15.151 -17.694 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 15.151 -16.155 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 13.817 -15.384 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 11.150 -9.225 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 8.483 -10.764 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 8.483 -13.845 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 8.483 -15.384 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 8.483 -18.464 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 11.150 -20.004 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 13.817 -20.004 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 16.862 -17.733 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 13.971 -13.473 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 14.370 -12.379 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 15.060 -14.562 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 13.817 -14.463 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 17.516 -16.424 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 19.113 -18.013 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 19.172 -16.347 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 18.024 -14.257 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 20.282 -15.192 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 21.371 -16.281 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 20.962 -20.284 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 19.932 -21.429 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 20.409 -22.893 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 21.915 -23.212 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 22.945 -22.067 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 22.468 -20.603 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 23.498 -19.458 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 25.004 -19.777 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 26.034 -18.632 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 25.557 -17.168 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 24.051 -16.849 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 23.021 -17.994 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 21.648 -17.295 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 20.485 -18.820 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 21.047 -18.236 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 19.549 -19.663 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 26.646 -16.079 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 27.522 -19.030 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 25.774 -21.111 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 24.433 -22.466 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 22.314 -24.700 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 19.320 -23.982 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 18.795 -12.923 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 20.110 -12.923 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 18.396 -11.436 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 19.729 -10.666 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 19.729 -9.126 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 18.396 -8.356 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 17.062 -9.126 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 17.062 -10.666 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 15.729 -8.356 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 18.396 -6.816 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 21.063 -8.356 0.000 0.00 0.00 O+0 CONECT 1 2 6 20 CONECT 2 1 3 21 CONECT 3 2 4 22 CONECT 4 3 5 13 CONECT 5 4 6 16 CONECT 6 5 1 7 CONECT 7 6 8 12 CONECT 8 7 9 25 CONECT 9 8 10 CONECT 10 9 11 17 CONECT 11 10 12 18 CONECT 12 11 7 19 CONECT 13 4 14 23 CONECT 14 13 15 24 CONECT 15 14 16 CONECT 16 15 5 28 CONECT 17 10 CONECT 18 11 CONECT 19 12 CONECT 20 1 CONECT 21 2 CONECT 22 3 CONECT 23 13 CONECT 24 14 27 29 CONECT 25 8 26 27 CONECT 26 25 CONECT 27 25 24 CONECT 28 16 CONECT 29 24 30 31 CONECT 30 29 48 CONECT 31 29 32 33 CONECT 32 31 57 CONECT 33 31 34 CONECT 34 33 47 CONECT 35 36 40 48 CONECT 36 35 37 CONECT 37 36 38 56 CONECT 38 37 39 55 CONECT 39 38 40 54 CONECT 40 39 35 41 CONECT 41 40 42 46 CONECT 42 41 43 53 CONECT 43 42 44 52 CONECT 44 43 45 51 CONECT 45 44 46 CONECT 46 45 41 47 CONECT 47 46 49 34 CONECT 48 35 50 30 CONECT 49 47 CONECT 50 48 CONECT 51 44 CONECT 52 43 CONECT 53 42 CONECT 54 39 CONECT 55 38 CONECT 56 37 CONECT 57 32 58 59 CONECT 58 57 CONECT 59 57 60 64 CONECT 60 59 61 CONECT 61 60 62 67 CONECT 62 61 63 66 CONECT 63 62 64 65 CONECT 64 63 59 CONECT 65 63 CONECT 66 62 CONECT 67 61 MASTER 0 0 0 0 0 0 0 0 67 0 148 0 END