HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: castalin.cdx SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 8.467 -16.267 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 8.467 -17.807 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 9.801 -18.577 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 11.134 -17.807 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 11.134 -16.267 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 9.801 -15.497 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 9.801 -13.957 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 11.134 -13.187 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 11.134 -11.647 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 9.801 -10.877 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 8.467 -11.647 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 8.467 -13.187 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 12.468 -18.577 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 13.802 -17.807 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 13.802 -16.267 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 12.468 -15.497 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 9.801 -9.337 0.000 0.00 0.00 O+0 HETATM 18 O UNK 0 7.134 -10.877 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 7.134 -13.957 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 7.134 -15.497 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 7.134 -18.577 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 9.801 -20.117 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 12.468 -20.117 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 15.513 -17.845 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 12.622 -13.585 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 13.021 -12.491 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 13.711 -14.674 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 12.468 -14.575 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 16.167 -16.536 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 17.765 -18.126 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 17.823 -16.459 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 16.675 -14.369 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 18.933 -15.305 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 20.022 -16.393 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 17.446 -13.036 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 18.761 -13.036 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 17.047 -11.548 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 18.381 -10.778 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 18.381 -9.238 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 17.047 -8.468 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 15.713 -9.238 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 15.713 -10.778 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 14.380 -8.468 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 17.047 -6.928 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 19.714 -8.468 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 42 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 CONECT 31 29 32 33 CONECT 32 31 35 CONECT 33 31 34 CONECT 34 33 CONECT 35 32 36 37 CONECT 36 35 CONECT 37 35 38 42 CONECT 38 37 39 CONECT 39 38 40 45 CONECT 40 39 41 44 CONECT 41 40 42 43 CONECT 42 41 37 9 CONECT 43 41 CONECT 44 40 CONECT 45 39 MASTER 0 0 0 0 0 0 0 0 45 0 100 0 END