COMPND HMDB0039135 HETATM 1 C1 UNL 1 -3.246 -3.276 4.038 1.00 0.00 C HETATM 2 O1 UNL 1 -2.099 -3.050 3.245 1.00 0.00 O HETATM 3 C2 UNL 1 -2.071 -2.065 2.250 1.00 0.00 C HETATM 4 C3 UNL 1 -0.921 -1.897 1.512 1.00 0.00 C HETATM 5 C4 UNL 1 -0.807 -0.951 0.515 1.00 0.00 C HETATM 6 O2 UNL 1 0.304 -0.749 -0.237 1.00 0.00 O HETATM 7 C5 UNL 1 1.532 -1.400 -0.198 1.00 0.00 C HETATM 8 O3 UNL 1 2.503 -0.420 0.115 1.00 0.00 O HETATM 9 C6 UNL 1 2.924 0.189 -1.031 1.00 0.00 C HETATM 10 C7 UNL 1 3.363 1.599 -0.939 1.00 0.00 C HETATM 11 O4 UNL 1 4.431 1.892 -0.111 1.00 0.00 O HETATM 12 C8 UNL 1 4.552 1.712 1.235 1.00 0.00 C HETATM 13 O5 UNL 1 3.576 1.211 1.848 1.00 0.00 O HETATM 14 C9 UNL 1 5.733 2.057 2.019 1.00 0.00 C HETATM 15 O6 UNL 1 6.702 2.563 1.362 1.00 0.00 O HETATM 16 O7 UNL 1 5.822 1.863 3.370 1.00 0.00 O HETATM 17 C10 UNL 1 3.943 -0.723 -1.686 1.00 0.00 C HETATM 18 O8 UNL 1 5.007 -0.968 -0.809 1.00 0.00 O HETATM 19 C11 UNL 1 3.221 -2.026 -1.954 1.00 0.00 C HETATM 20 O9 UNL 1 3.918 -3.108 -1.420 1.00 0.00 O HETATM 21 C12 UNL 1 1.787 -2.014 -1.549 1.00 0.00 C HETATM 22 O10 UNL 1 1.351 -3.346 -1.497 1.00 0.00 O HETATM 23 C13 UNL 1 -1.930 -0.150 0.276 1.00 0.00 C HETATM 24 C14 UNL 1 -1.876 0.835 -0.730 1.00 0.00 C HETATM 25 O11 UNL 1 -0.703 0.902 -1.379 1.00 0.00 O HETATM 26 C15 UNL 1 -3.013 1.648 -0.975 1.00 0.00 C HETATM 27 C16 UNL 1 -2.908 2.642 -2.008 1.00 0.00 C HETATM 28 C17 UNL 1 -3.917 3.591 -2.435 1.00 0.00 C HETATM 29 O12 UNL 1 -1.782 2.710 -2.641 1.00 0.00 O HETATM 30 C18 UNL 1 -4.141 1.447 -0.217 1.00 0.00 C HETATM 31 C19 UNL 1 -5.379 2.225 -0.395 1.00 0.00 C HETATM 32 C20 UNL 1 -4.184 0.465 0.781 1.00 0.00 C HETATM 33 C21 UNL 1 -3.074 -0.313 1.006 1.00 0.00 C HETATM 34 C22 UNL 1 -3.176 -1.278 2.016 1.00 0.00 C HETATM 35 H1 UNL 1 -3.287 -2.511 4.838 1.00 0.00 H HETATM 36 H2 UNL 1 -4.179 -3.292 3.434 1.00 0.00 H HETATM 37 H3 UNL 1 -3.157 -4.305 4.488 1.00 0.00 H HETATM 38 H4 UNL 1 -0.032 -2.510 1.682 1.00 0.00 H HETATM 39 H5 UNL 1 1.628 -2.201 0.551 1.00 0.00 H HETATM 40 H6 UNL 1 2.040 0.182 -1.738 1.00 0.00 H HETATM 41 H7 UNL 1 2.456 2.222 -0.751 1.00 0.00 H HETATM 42 H8 UNL 1 3.675 1.901 -1.984 1.00 0.00 H HETATM 43 H9 UNL 1 6.126 2.649 3.939 1.00 0.00 H HETATM 44 H10 UNL 1 4.287 -0.225 -2.596 1.00 0.00 H HETATM 45 H11 UNL 1 5.371 -1.859 -1.041 1.00 0.00 H HETATM 46 H12 UNL 1 3.249 -2.170 -3.071 1.00 0.00 H HETATM 47 H13 UNL 1 3.278 -3.739 -1.044 1.00 0.00 H HETATM 48 H14 UNL 1 1.148 -1.545 -2.355 1.00 0.00 H HETATM 49 H15 UNL 1 1.090 -3.610 -0.581 1.00 0.00 H HETATM 50 H16 UNL 1 -0.299 1.399 -2.073 1.00 0.00 H HETATM 51 H17 UNL 1 -4.644 3.134 -3.150 1.00 0.00 H HETATM 52 H18 UNL 1 -3.354 4.375 -3.097 1.00 0.00 H HETATM 53 H19 UNL 1 -4.346 4.149 -1.609 1.00 0.00 H HETATM 54 H20 UNL 1 -5.739 2.329 -1.415 1.00 0.00 H HETATM 55 H21 UNL 1 -5.356 3.193 0.129 1.00 0.00 H HETATM 56 H22 UNL 1 -6.214 1.651 0.143 1.00 0.00 H HETATM 57 H23 UNL 1 -5.090 0.350 1.349 1.00 0.00 H HETATM 58 H24 UNL 1 -4.094 -1.385 2.578 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 CONECT 3 4 4 34 CONECT 4 5 38 CONECT 5 6 23 23 CONECT 6 7 CONECT 7 8 21 39 CONECT 8 9 CONECT 9 10 17 40 CONECT 10 11 41 42 CONECT 11 12 CONECT 12 13 13 14 CONECT 14 15 15 16 CONECT 16 43 CONECT 17 18 19 44 CONECT 18 45 CONECT 19 20 21 46 CONECT 20 47 CONECT 21 22 48 CONECT 22 49 CONECT 23 24 33 CONECT 24 25 26 26 CONECT 25 50 CONECT 26 27 30 CONECT 27 28 29 29 CONECT 28 51 52 53 CONECT 30 31 32 32 CONECT 31 54 55 56 CONECT 32 33 57 CONECT 33 34 34 CONECT 34 58 END