COMPND HMDB0037434 HETATM 1 O1 UNL 1 5.985 -2.626 -2.131 1.00 0.00 O HETATM 2 C1 UNL 1 6.752 -2.733 -1.147 1.00 0.00 C HETATM 3 O2 UNL 1 8.114 -2.663 -1.348 1.00 0.00 O HETATM 4 C2 UNL 1 6.248 -2.932 0.231 1.00 0.00 C HETATM 5 C3 UNL 1 4.760 -2.980 0.266 1.00 0.00 C HETATM 6 O3 UNL 1 4.146 -4.021 -0.092 1.00 0.00 O HETATM 7 O4 UNL 1 3.991 -1.908 0.684 1.00 0.00 O HETATM 8 C4 UNL 1 2.579 -2.011 0.697 1.00 0.00 C HETATM 9 C5 UNL 1 2.072 -0.664 1.205 1.00 0.00 C HETATM 10 O5 UNL 1 0.713 -0.709 1.236 1.00 0.00 O HETATM 11 C6 UNL 1 0.059 0.528 1.253 1.00 0.00 C HETATM 12 O6 UNL 1 -0.440 0.870 -0.008 1.00 0.00 O HETATM 13 C7 UNL 1 -1.771 1.189 -0.287 1.00 0.00 C HETATM 14 C8 UNL 1 -2.674 0.236 -0.628 1.00 0.00 C HETATM 15 C9 UNL 1 -2.421 -1.171 -0.771 1.00 0.00 C HETATM 16 C10 UNL 1 -3.504 -2.065 -0.734 1.00 0.00 C HETATM 17 C11 UNL 1 -3.382 -3.407 -0.933 1.00 0.00 C HETATM 18 C12 UNL 1 -2.148 -3.936 -1.185 1.00 0.00 C HETATM 19 O7 UNL 1 -2.004 -5.314 -1.391 1.00 0.00 O HETATM 20 C13 UNL 1 -1.072 -3.112 -1.231 1.00 0.00 C HETATM 21 C14 UNL 1 -1.213 -1.726 -1.023 1.00 0.00 C HETATM 22 O8 UNL 1 -3.920 0.694 -0.846 1.00 0.00 O HETATM 23 C15 UNL 1 -4.267 1.936 -0.753 1.00 0.00 C HETATM 24 C16 UNL 1 -5.594 2.297 -1.002 1.00 0.00 C HETATM 25 C17 UNL 1 -5.998 3.601 -0.913 1.00 0.00 C HETATM 26 O9 UNL 1 -7.343 3.924 -1.171 1.00 0.00 O HETATM 27 C18 UNL 1 -5.128 4.596 -0.580 1.00 0.00 C HETATM 28 C19 UNL 1 -3.775 4.276 -0.320 1.00 0.00 C HETATM 29 O10 UNL 1 -2.925 5.276 0.010 1.00 0.00 O HETATM 30 C20 UNL 1 -3.393 2.954 -0.416 1.00 0.00 C HETATM 31 C21 UNL 1 -2.094 2.554 -0.176 1.00 0.00 C HETATM 32 O11 UNL 1 -1.211 3.385 0.132 1.00 0.00 O HETATM 33 C22 UNL 1 1.000 1.529 1.893 1.00 0.00 C HETATM 34 O12 UNL 1 0.367 2.604 2.415 1.00 0.00 O HETATM 35 C23 UNL 1 2.199 1.779 1.026 1.00 0.00 C HETATM 36 O13 UNL 1 3.306 2.198 1.765 1.00 0.00 O HETATM 37 C24 UNL 1 2.572 0.457 0.336 1.00 0.00 C HETATM 38 O14 UNL 1 1.952 0.365 -0.904 1.00 0.00 O HETATM 39 H1 UNL 1 8.577 -2.180 -2.089 1.00 0.00 H HETATM 40 H2 UNL 1 6.641 -2.142 0.894 1.00 0.00 H HETATM 41 H3 UNL 1 6.666 -3.898 0.584 1.00 0.00 H HETATM 42 H4 UNL 1 2.157 -2.299 -0.271 1.00 0.00 H HETATM 43 H5 UNL 1 2.319 -2.758 1.481 1.00 0.00 H HETATM 44 H6 UNL 1 2.488 -0.598 2.246 1.00 0.00 H HETATM 45 H7 UNL 1 -0.794 0.438 1.950 1.00 0.00 H HETATM 46 H8 UNL 1 -4.486 -1.661 -0.537 1.00 0.00 H HETATM 47 H9 UNL 1 -4.215 -4.104 -0.906 1.00 0.00 H HETATM 48 H10 UNL 1 -2.084 -5.652 -2.337 1.00 0.00 H HETATM 49 H11 UNL 1 -0.083 -3.485 -1.425 1.00 0.00 H HETATM 50 H12 UNL 1 -0.331 -1.112 -1.106 1.00 0.00 H HETATM 51 H13 UNL 1 -6.319 1.544 -1.269 1.00 0.00 H HETATM 52 H14 UNL 1 -7.528 4.144 -2.160 1.00 0.00 H HETATM 53 H15 UNL 1 -5.415 5.639 -0.501 1.00 0.00 H HETATM 54 H16 UNL 1 -2.001 5.292 0.220 1.00 0.00 H HETATM 55 H17 UNL 1 1.393 0.963 2.817 1.00 0.00 H HETATM 56 H18 UNL 1 0.911 3.443 2.314 1.00 0.00 H HETATM 57 H19 UNL 1 2.027 2.500 0.227 1.00 0.00 H HETATM 58 H20 UNL 1 3.866 2.791 1.211 1.00 0.00 H HETATM 59 H21 UNL 1 3.678 0.411 0.191 1.00 0.00 H HETATM 60 H22 UNL 1 1.995 -0.543 -1.285 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 39 CONECT 4 5 40 41 CONECT 5 6 6 7 CONECT 7 8 CONECT 8 9 42 43 CONECT 9 10 37 44 CONECT 10 11 CONECT 11 12 33 45 CONECT 12 13 CONECT 13 14 14 31 CONECT 14 15 22 CONECT 15 16 16 21 CONECT 16 17 46 CONECT 17 18 18 47 CONECT 18 19 20 CONECT 19 48 CONECT 20 21 21 49 CONECT 21 50 CONECT 22 23 CONECT 23 24 24 30 CONECT 24 25 51 CONECT 25 26 27 27 CONECT 26 52 CONECT 27 28 53 CONECT 28 29 30 30 CONECT 29 54 CONECT 30 31 CONECT 31 32 32 CONECT 33 34 35 55 CONECT 34 56 CONECT 35 36 37 57 CONECT 36 58 CONECT 37 38 59 CONECT 38 60 END