HEADER PROTEIN 10-JUL-12 NONE TITLE NULL COMPND MOLECULE: 49792073 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 10-JUL-12 0 HETATM 1 S UNK 0 12.361 -9.162 0.000 0.00 0.00 S+0 HETATM 2 S UNK 0 15.104 -10.718 0.000 0.00 0.00 S-1 HETATM 3 P UNK 0 9.711 -1.378 0.000 0.00 0.00 P+0 HETATM 4 P UNK 0 11.036 -3.693 0.000 0.00 0.00 P+0 HETATM 5 O UNK 0 7.150 3.387 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 11.104 2.896 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 10.081 6.087 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 15.087 -5.992 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 9.717 0.162 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 12.367 -4.468 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 9.705 -2.918 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 8.895 7.659 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 8.171 -1.372 0.000 0.00 0.00 O-1 HETATM 14 O UNK 0 11.251 -1.384 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 20.490 -10.718 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 11.811 -2.362 0.000 0.00 0.00 O-1 HETATM 17 O UNK 0 10.261 -5.023 0.000 0.00 0.00 O+0 HETATM 18 N UNK 0 6.731 6.100 0.000 0.00 0.00 N+0 HETATM 19 N UNK 0 17.797 -9.125 0.000 0.00 0.00 N+0 HETATM 20 N UNK 0 17.797 -6.045 0.000 0.00 0.00 N+0 HETATM 21 N UNK 0 20.507 -5.992 0.000 0.00 0.00 N+0 HETATM 22 N UNK 0 6.462 8.753 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 21.903 -8.387 0.000 0.00 0.00 N+0 HETATM 24 N UNK 0 4.030 9.848 0.000 0.00 0.00 N+0 HETATM 25 N UNK 0 23.234 -6.008 0.000 0.00 0.00 N+0 HETATM 26 C UNK 0 9.642 3.378 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 9.171 4.844 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 8.392 2.477 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 7.631 4.850 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 8.386 0.937 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 16.463 -8.355 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 16.463 -6.815 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 13.691 -6.783 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 15.087 -9.179 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 13.691 -8.387 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 19.131 -6.815 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 19.131 -8.355 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 5.199 5.945 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 12.361 -6.008 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 7.363 7.504 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 20.507 -9.179 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 4.299 7.194 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 4.930 8.598 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 21.903 -6.783 0.000 0.00 0.00 C+0 HETATM 45 H UNK 0 10.319 4.050 0.000 0.00 0.00 H+0 HETATM 46 H UNK 0 10.114 4.691 0.000 0.00 0.00 H+0 HETATM 47 H UNK 0 7.540 2.047 0.000 0.00 0.00 H+0 HETATM 48 H UNK 0 6.688 4.704 0.000 0.00 0.00 H+0 HETATM 49 H UNK 0 7.447 1.107 0.000 0.00 0.00 H+0 HETATM 50 H UNK 0 8.056 0.041 0.000 0.00 0.00 H+0 HETATM 51 H UNK 0 16.474 -9.664 0.000 0.00 0.00 H+0 HETATM 52 H UNK 0 16.474 -5.506 0.000 0.00 0.00 H+0 HETATM 53 H UNK 0 13.697 -5.828 0.000 0.00 0.00 H+0 HETATM 54 H UNK 0 17.797 -10.080 0.000 0.00 0.00 H+0 HETATM 55 H UNK 0 17.797 -5.090 0.000 0.00 0.00 H+0 HETATM 56 H UNK 0 11.816 3.532 0.000 0.00 0.00 H+0 HETATM 57 H UNK 0 11.031 5.983 0.000 0.00 0.00 H+0 HETATM 58 H UNK 0 11.421 -5.838 0.000 0.00 0.00 H+0 HETATM 59 H UNK 0 12.031 -6.904 0.000 0.00 0.00 H+0 HETATM 60 H UNK 0 4.807 5.074 0.000 0.00 0.00 H+0 HETATM 61 H UNK 0 20.496 -5.037 0.000 0.00 0.00 H+0 HETATM 62 H UNK 0 3.349 7.098 0.000 0.00 0.00 H+0 HETATM 63 H UNK 0 11.532 -8.688 0.000 0.00 0.00 H+0 HETATM 64 H UNK 0 3.080 9.752 0.000 0.00 0.00 H+0 HETATM 65 H UNK 0 4.422 10.718 0.000 0.00 0.00 H+0 HETATM 66 H UNK 0 24.062 -6.482 0.000 0.00 0.00 H+0 HETATM 67 H UNK 0 23.230 -5.053 0.000 0.00 0.00 H+0 CONECT 1 35 63 CONECT 2 34 CONECT 3 9 11 13 14 CONECT 4 10 11 16 17 CONECT 5 28 29 CONECT 6 26 56 CONECT 7 27 57 CONECT 8 32 33 CONECT 9 3 30 CONECT 10 4 39 CONECT 11 3 4 CONECT 12 40 CONECT 13 3 CONECT 14 3 CONECT 15 41 CONECT 16 4 CONECT 17 4 CONECT 18 29 38 40 CONECT 19 31 37 54 CONECT 20 32 36 55 CONECT 21 36 44 61 CONECT 22 40 43 CONECT 23 41 44 CONECT 24 43 64 65 CONECT 25 44 66 67 CONECT 26 6 27 28 45 CONECT 27 7 26 29 46 CONECT 28 5 26 30 47 CONECT 29 5 18 27 48 CONECT 30 9 28 49 50 CONECT 31 19 32 34 51 CONECT 32 8 20 31 52 CONECT 33 8 35 39 53 CONECT 34 2 31 35 CONECT 35 1 33 34 CONECT 36 20 21 37 CONECT 37 19 36 41 CONECT 38 18 42 60 CONECT 39 10 33 58 59 CONECT 40 12 18 22 CONECT 41 15 23 37 CONECT 42 38 43 62 CONECT 43 22 24 42 CONECT 44 21 23 25 CONECT 45 26 CONECT 46 27 CONECT 47 28 CONECT 48 29 CONECT 49 30 CONECT 50 30 CONECT 51 31 CONECT 52 32 CONECT 53 33 CONECT 54 19 CONECT 55 20 CONECT 56 6 CONECT 57 7 CONECT 58 39 CONECT 59 39 CONECT 60 38 CONECT 61 21 CONECT 62 42 CONECT 63 1 CONECT 64 24 CONECT 65 24 CONECT 66 25 CONECT 67 25 MASTER 0 0 0 0 0 0 0 0 67 0 142 0 END