HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Capsorubin SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 -23.135 6.933 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 -24.041 8.179 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -25.581 8.179 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -26.057 9.644 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -27.463 9.017 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -26.827 10.977 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -24.811 10.549 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -25.841 11.693 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -23.565 9.644 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -23.780 11.693 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -22.274 11.373 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -24.256 13.158 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -23.226 14.302 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -23.701 15.767 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -25.208 16.087 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -22.671 16.911 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -23.147 18.376 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -22.116 19.520 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -22.592 20.985 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -24.099 21.305 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -21.562 22.130 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -22.038 23.594 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -21.007 24.739 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -21.483 26.203 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -20.453 27.348 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -18.946 27.027 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -20.929 28.812 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -19.898 29.957 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -20.374 31.421 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -19.344 32.566 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -17.837 32.246 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -19.820 34.030 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -18.789 35.175 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -19.265 36.639 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -18.235 37.784 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -20.771 36.960 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -20.295 38.424 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -20.932 35.428 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -22.439 35.108 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -23.065 33.701 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -23.209 36.442 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -22.178 37.586 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -23.197 38.741 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -21.718 39.056 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 9 CONECT 3 2 4 CONECT 4 3 5 6 7 CONECT 5 4 CONECT 6 4 CONECT 7 4 8 9 10 CONECT 8 7 CONECT 9 7 2 CONECT 10 7 11 12 CONECT 11 10 CONECT 12 10 13 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 CONECT 33 32 34 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 38 42 CONECT 37 36 CONECT 38 36 39 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 CONECT 42 41 36 43 44 CONECT 43 42 CONECT 44 42 MASTER 0 0 0 0 0 0 0 0 44 0 90 0 END