HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Spinasaponin A SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 C UNK 0 5.184 2.104 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 4.414 0.770 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 5.184 -0.564 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 6.724 -0.564 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 7.494 0.770 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 9.034 0.770 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 9.804 -0.564 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 11.344 -0.564 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 12.114 0.770 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 13.654 0.770 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 14.424 -0.564 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 15.964 -0.564 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 16.734 -1.897 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 15.964 -3.231 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 16.734 -4.565 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 14.424 -3.231 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 13.654 -1.897 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 12.114 -1.897 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 13.654 -4.565 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 14.424 -5.898 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 13.654 -7.232 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 14.424 -8.566 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 13.654 -9.899 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 15.964 -8.566 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 16.734 -7.232 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 15.964 -5.898 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 18.274 -7.232 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 19.044 -8.566 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 16.734 -9.899 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 12.114 -7.232 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 18.274 -1.897 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 19.044 -3.231 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 19.044 -0.564 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 11.344 2.104 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 9.804 2.104 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 9.034 3.437 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 7.494 3.437 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 6.724 2.104 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 5.954 3.437 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 12.650 2.920 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 11.397 3.643 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 8.264 -0.564 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 2.874 0.770 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 2.104 -0.564 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 0.564 -0.564 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 0.831 -2.080 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.883 -1.090 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -0.206 0.770 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 0.564 2.104 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 2.104 2.104 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 2.874 3.437 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 4.414 3.437 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 1.334 3.437 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 2.104 4.771 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 -0.206 3.437 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 5.023 3.635 0.000 0.00 0.00 C+0 CONECT 1 2 38 52 56 CONECT 2 1 3 43 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 38 CONECT 6 5 7 35 42 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 34 CONECT 10 9 11 CONECT 11 10 12 17 CONECT 12 11 13 CONECT 13 12 14 31 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 19 CONECT 17 16 11 18 CONECT 18 17 CONECT 19 16 20 CONECT 20 19 21 26 CONECT 21 20 22 30 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 29 CONECT 25 24 26 27 CONECT 26 25 20 CONECT 27 25 28 CONECT 28 27 CONECT 29 24 CONECT 30 21 CONECT 31 13 32 33 CONECT 32 31 CONECT 33 31 CONECT 34 9 35 40 41 CONECT 35 34 6 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 1 5 39 CONECT 39 38 CONECT 40 34 CONECT 41 34 CONECT 42 6 CONECT 43 2 44 50 CONECT 44 43 45 CONECT 45 44 46 47 48 CONECT 46 45 CONECT 47 45 CONECT 48 45 49 CONECT 49 48 50 CONECT 50 49 43 51 53 CONECT 51 50 52 CONECT 52 51 1 CONECT 53 50 54 55 CONECT 54 53 CONECT 55 53 CONECT 56 1 MASTER 0 0 0 0 0 0 0 0 56 0 124 0 END