HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: HMDB04889.mol SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 C UNK 0 -4.687 10.756 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.017 11.524 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -7.350 10.755 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -7.350 9.209 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -6.006 8.433 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 -4.661 9.210 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 -3.323 6.901 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.655 6.132 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.655 4.571 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -3.316 3.798 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.962 4.579 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 -1.962 6.133 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 -0.654 3.824 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 -5.951 3.823 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 -3.323 8.442 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 -6.006 6.912 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 -3.349 11.529 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 -6.017 13.060 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 -8.674 11.519 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 -8.670 8.447 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 -3.316 2.281 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -0.654 2.313 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 0.704 1.529 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 0.704 0.017 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 2.062 -0.767 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 2.062 -2.293 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 3.402 -3.067 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 3.402 -4.603 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 4.737 -5.374 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 4.737 -6.913 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 3.404 -7.683 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 3.404 -9.223 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 2.070 -9.993 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 0.736 -9.223 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -0.597 -9.993 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -1.931 -9.223 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.265 -9.993 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.598 -9.223 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -5.932 -9.993 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 2.062 2.313 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 3.384 1.550 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 3.384 0.017 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 4.720 -0.755 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 4.720 -2.293 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 6.055 -3.064 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 6.055 -4.603 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 7.389 -5.373 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 7.389 -6.913 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 6.055 -7.683 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 6.055 -9.223 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 7.389 -9.993 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 7.389 -11.533 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 8.722 -12.303 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 8.722 -13.843 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 10.056 -14.613 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 10.056 -16.153 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 11.390 -16.923 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 11.390 -18.463 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 4.723 2.323 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 -0.605 -0.739 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 -1.986 9.214 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 -2.026 10.765 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 -10.066 13.808 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -10.066 15.365 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -8.714 16.146 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -7.361 15.365 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -7.361 13.835 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 -8.712 13.055 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 -11.390 13.044 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 -11.390 11.492 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 -11.388 16.129 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 -8.714 17.669 0.000 0.00 0.00 O+0 HETATM 73 N UNK 0 -6.042 16.126 0.000 0.00 0.00 N+0 HETATM 74 C UNK 0 -6.042 17.684 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -4.724 18.445 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 -7.392 18.463 0.000 0.00 0.00 O+0 CONECT 1 2 6 17 CONECT 2 1 3 18 CONECT 3 2 4 19 CONECT 4 3 5 20 CONECT 5 4 6 16 CONECT 6 5 1 CONECT 7 8 12 15 CONECT 8 7 9 16 CONECT 9 8 10 14 CONECT 10 9 11 21 CONECT 11 10 12 13 CONECT 12 11 7 CONECT 13 11 22 CONECT 14 9 CONECT 15 7 61 CONECT 16 5 8 CONECT 17 1 62 CONECT 18 2 67 CONECT 19 3 CONECT 20 4 CONECT 21 10 CONECT 22 13 23 CONECT 23 22 24 40 CONECT 24 23 25 60 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 CONECT 40 23 41 CONECT 41 40 42 59 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 CONECT 48 47 49 CONECT 49 50 48 CONECT 50 49 51 CONECT 51 50 52 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 58 CONECT 58 57 CONECT 59 41 CONECT 60 24 CONECT 61 15 CONECT 62 17 CONECT 63 64 68 69 CONECT 64 63 65 71 CONECT 65 64 66 72 CONECT 66 65 67 73 CONECT 67 66 68 18 CONECT 68 67 63 CONECT 69 63 70 CONECT 70 69 CONECT 71 64 CONECT 72 65 CONECT 73 66 74 CONECT 74 73 75 76 CONECT 75 74 CONECT 76 74 MASTER 0 0 0 0 0 0 0 0 76 0 156 0 END