HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: 1.mol SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 C UNK 0 1.683 5.545 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.057 5.559 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.620 3.731 0.000 0.00 0.00 C+0 HETATM 4 N UNK 0 0.746 2.713 0.000 0.00 0.00 N+0 HETATM 5 C UNK 0 2.265 3.755 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 6.168 -0.947 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 6.182 0.885 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 4.537 1.447 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 3.519 -0.010 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 4.469 -1.529 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 3.956 3.238 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.142 -5.524 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 1.598 -5.537 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 2.208 -3.756 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 0.704 -2.691 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 -0.677 -3.688 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 3.906 -3.265 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.764 0.923 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.777 -0.817 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.950 -1.472 0.000 0.00 0.00 C+0 HETATM 21 N UNK 0 -1.931 0.077 0.000 0.00 0.00 N+0 HETATM 22 C UNK 0 -2.927 1.551 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -2.410 3.241 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.460 -3.171 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 2.489 -6.794 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.071 -6.752 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.967 6.801 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 2.593 6.788 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 1.973 8.197 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 2.882 9.439 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 2.261 10.849 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 4.413 9.272 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 -0.346 8.211 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.255 9.453 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 1.185 8.377 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -6.013 1.824 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -7.418 1.193 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -8.667 2.093 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -10.071 1.462 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -8.511 3.625 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -6.040 -1.698 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -7.435 -1.045 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -8.698 -1.927 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 -0.471 -8.171 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 -1.400 -9.399 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 -7.567 0.489 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 1.847 -8.193 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 2.738 -9.449 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 2.095 -10.849 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 1.057 -8.361 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 4.271 -9.306 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 7.417 -1.847 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 8.822 -1.214 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 8.976 0.318 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 10.071 -2.114 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 7.438 1.776 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 7.295 3.309 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 8.551 4.200 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 8.407 5.733 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 9.950 3.558 0.000 0.00 0.00 O+0 CONECT 1 2 5 28 CONECT 2 1 3 27 CONECT 3 2 4 23 CONECT 4 3 5 CONECT 5 4 1 11 CONECT 6 7 10 52 CONECT 7 6 8 56 CONECT 8 7 9 11 CONECT 9 8 10 CONECT 10 9 6 17 CONECT 11 5 8 CONECT 12 13 16 26 CONECT 13 12 14 25 CONECT 14 13 15 17 CONECT 15 14 16 CONECT 16 15 12 24 CONECT 17 10 14 CONECT 18 19 22 36 CONECT 19 18 20 41 CONECT 20 19 21 24 CONECT 21 20 22 CONECT 22 21 18 23 CONECT 23 3 22 CONECT 24 16 20 CONECT 25 13 47 CONECT 26 12 44 CONECT 27 2 33 CONECT 28 1 29 CONECT 29 28 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 CONECT 33 27 34 35 CONECT 34 33 CONECT 35 33 CONECT 36 18 37 CONECT 37 36 38 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 CONECT 41 19 42 CONECT 42 41 43 46 CONECT 43 42 CONECT 44 26 45 50 CONECT 45 44 CONECT 46 42 CONECT 47 25 48 CONECT 48 47 49 51 CONECT 49 48 CONECT 50 44 CONECT 51 48 CONECT 52 6 53 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 CONECT 56 7 57 CONECT 57 56 58 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 MASTER 0 0 0 0 0 0 0 0 60 0 128 0 END