HEADER PROTEIN 07-JUN-21 NONE TITLE NULL COMPND MOLECULE: Dehydrotomatine SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-JUN-21 0 HETATM 1 O UNK 0 0.000 0.000 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 -1.334 0.770 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.667 0.000 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 -1.334 2.310 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 -4.001 0.770 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.667 3.080 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.001 2.310 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.667 -1.540 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 -5.335 0.000 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 -5.335 3.080 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 -2.667 4.620 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 -1.111 5.517 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 -5.335 4.620 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -6.668 5.390 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 -4.001 5.390 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -6.668 6.930 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.001 6.930 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.334 7.700 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 -8.002 4.620 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 -8.002 7.700 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 -5.334 9.240 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -2.667 7.700 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -2.667 9.240 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -8.002 9.241 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -9.335 10.010 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -6.668 10.011 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -9.335 11.550 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.668 11.550 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -8.001 12.320 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -10.669 9.241 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 -10.669 12.321 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 -8.001 13.860 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -9.336 3.850 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -9.336 2.310 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -10.669 4.620 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -10.669 1.540 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -12.003 3.850 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -12.003 2.310 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -8.002 1.540 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -10.669 0.000 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 -13.337 1.540 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 -13.337 4.620 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -14.670 3.850 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 6.668 5.390 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 5.335 4.620 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 6.668 0.770 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 2.667 3.080 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 9.466 2.604 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 5.335 3.080 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 8.002 3.080 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 9.466 5.096 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 10.372 6.342 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 10.372 7.882 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 4.001 3.850 0.000 0.00 0.00 C+0 HETATM 60 N UNK 0 13.170 5.096 0.000 0.00 0.00 N+0 HETATM 61 C UNK 0 14.504 5.866 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 14.504 7.406 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 13.170 8.176 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 11.837 7.406 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 11.837 5.866 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 15.837 8.176 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 11.837 4.326 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 8.002 4.620 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 8.002 6.160 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 1.334 0.770 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 4.001 0.770 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 10.372 3.850 0.000 0.00 0.00 C+0 CONECT 1 2 70 CONECT 2 3 4 1 CONECT 3 2 5 8 CONECT 4 2 6 CONECT 5 3 7 9 CONECT 6 4 7 11 CONECT 7 5 6 10 CONECT 8 3 CONECT 9 5 CONECT 10 7 13 CONECT 11 6 12 CONECT 12 11 CONECT 13 14 15 10 CONECT 14 13 16 19 CONECT 15 13 17 CONECT 16 14 18 20 CONECT 17 15 18 22 CONECT 18 16 17 21 CONECT 19 14 33 CONECT 20 16 24 CONECT 21 18 CONECT 22 17 23 CONECT 23 22 CONECT 24 25 26 20 CONECT 25 24 27 30 CONECT 26 24 28 CONECT 27 25 29 31 CONECT 28 26 29 CONECT 29 27 28 32 CONECT 30 25 CONECT 31 27 CONECT 32 29 CONECT 33 34 35 19 CONECT 34 33 36 39 CONECT 35 33 37 CONECT 36 34 38 40 CONECT 37 35 38 42 CONECT 38 36 37 41 CONECT 39 34 CONECT 40 36 CONECT 41 38 CONECT 42 37 43 CONECT 43 42 CONECT 44 45 68 CONECT 45 44 53 CONECT 46 52 47 CONECT 47 46 71 CONECT 48 71 70 CONECT 49 50 70 CONECT 50 49 58 CONECT 51 72 54 CONECT 52 46 53 54 CONECT 53 45 52 58 CONECT 54 51 52 68 CONECT 55 68 72 56 CONECT 56 55 65 57 CONECT 57 56 CONECT 58 50 53 71 59 CONECT 59 58 CONECT 60 61 65 CONECT 61 60 62 CONECT 62 61 63 66 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 56 60 64 67 CONECT 66 62 CONECT 67 65 72 CONECT 68 44 54 55 69 CONECT 69 68 CONECT 70 48 49 1 CONECT 71 47 48 58 CONECT 72 51 55 67 MASTER 0 0 0 0 0 0 0 0 72 0 162 0 END