COMPND HMDB0040139 HETATM 1 C1 UNL 1 6.446 0.893 1.814 1.00 0.00 C HETATM 2 C2 UNL 1 5.326 -0.042 1.492 1.00 0.00 C HETATM 3 O1 UNL 1 5.420 -1.286 1.593 1.00 0.00 O HETATM 4 O2 UNL 1 4.118 0.470 1.062 1.00 0.00 O HETATM 5 C3 UNL 1 3.026 -0.364 0.747 1.00 0.00 C HETATM 6 C4 UNL 1 1.868 -0.181 1.661 1.00 0.00 C HETATM 7 C5 UNL 1 1.516 1.297 1.662 1.00 0.00 C HETATM 8 O3 UNL 1 0.743 -0.883 1.401 1.00 0.00 O HETATM 9 C6 UNL 1 0.376 -0.889 0.024 1.00 0.00 C HETATM 10 O4 UNL 1 -0.875 -1.565 -0.081 1.00 0.00 O HETATM 11 C7 UNL 1 -2.029 -0.981 0.421 1.00 0.00 C HETATM 12 C8 UNL 1 -2.858 -0.232 -0.308 1.00 0.00 C HETATM 13 C9 UNL 1 -2.741 0.102 -1.730 1.00 0.00 C HETATM 14 C10 UNL 1 -1.884 -0.536 -2.580 1.00 0.00 C HETATM 15 C11 UNL 1 -1.774 -0.154 -3.920 1.00 0.00 C HETATM 16 C12 UNL 1 -2.528 0.873 -4.415 1.00 0.00 C HETATM 17 O5 UNL 1 -2.465 1.300 -5.735 1.00 0.00 O HETATM 18 C13 UNL 1 -3.403 1.529 -3.563 1.00 0.00 C HETATM 19 C14 UNL 1 -3.485 1.128 -2.253 1.00 0.00 C HETATM 20 O6 UNL 1 -3.926 0.274 0.337 1.00 0.00 O HETATM 21 C15 UNL 1 -4.185 0.077 1.594 1.00 0.00 C HETATM 22 C16 UNL 1 -5.325 0.651 2.174 1.00 0.00 C HETATM 23 C17 UNL 1 -5.607 0.448 3.505 1.00 0.00 C HETATM 24 O7 UNL 1 -6.758 1.043 4.049 1.00 0.00 O HETATM 25 C18 UNL 1 -4.799 -0.310 4.296 1.00 0.00 C HETATM 26 C19 UNL 1 -3.640 -0.908 3.754 1.00 0.00 C HETATM 27 O8 UNL 1 -2.868 -1.654 4.581 1.00 0.00 O HETATM 28 C20 UNL 1 -3.367 -0.696 2.418 1.00 0.00 C HETATM 29 C21 UNL 1 -2.267 -1.225 1.780 1.00 0.00 C HETATM 30 O9 UNL 1 -1.469 -1.938 2.438 1.00 0.00 O HETATM 31 C22 UNL 1 1.487 -1.362 -0.812 1.00 0.00 C HETATM 32 O10 UNL 1 1.253 -1.633 -2.128 1.00 0.00 O HETATM 33 C23 UNL 1 2.603 -0.298 -0.668 1.00 0.00 C HETATM 34 O11 UNL 1 3.649 -0.588 -1.581 1.00 0.00 O HETATM 35 C24 UNL 1 3.925 0.234 -2.637 1.00 0.00 C HETATM 36 C25 UNL 1 5.028 -0.069 -3.601 1.00 0.00 C HETATM 37 O12 UNL 1 3.195 1.274 -2.760 1.00 0.00 O HETATM 38 H1 UNL 1 6.090 1.954 1.750 1.00 0.00 H HETATM 39 H2 UNL 1 6.802 0.773 2.859 1.00 0.00 H HETATM 40 H3 UNL 1 7.275 0.789 1.078 1.00 0.00 H HETATM 41 H4 UNL 1 3.381 -1.426 0.917 1.00 0.00 H HETATM 42 H5 UNL 1 2.192 -0.377 2.737 1.00 0.00 H HETATM 43 H6 UNL 1 0.553 1.504 2.174 1.00 0.00 H HETATM 44 H7 UNL 1 1.383 1.624 0.613 1.00 0.00 H HETATM 45 H8 UNL 1 2.353 1.921 2.081 1.00 0.00 H HETATM 46 H9 UNL 1 0.164 0.175 -0.143 1.00 0.00 H HETATM 47 H10 UNL 1 -1.295 -1.355 -2.284 1.00 0.00 H HETATM 48 H11 UNL 1 -1.093 -0.654 -4.617 1.00 0.00 H HETATM 49 H12 UNL 1 -3.051 0.916 -6.451 1.00 0.00 H HETATM 50 H13 UNL 1 -4.004 2.343 -3.937 1.00 0.00 H HETATM 51 H14 UNL 1 -4.172 1.643 -1.594 1.00 0.00 H HETATM 52 H15 UNL 1 -5.959 1.251 1.537 1.00 0.00 H HETATM 53 H16 UNL 1 -6.983 0.907 5.027 1.00 0.00 H HETATM 54 H17 UNL 1 -5.049 -0.449 5.339 1.00 0.00 H HETATM 55 H18 UNL 1 -2.057 -2.137 4.413 1.00 0.00 H HETATM 56 H19 UNL 1 1.946 -2.281 -0.325 1.00 0.00 H HETATM 57 H20 UNL 1 1.835 -1.117 -2.716 1.00 0.00 H HETATM 58 H21 UNL 1 2.118 0.649 -0.973 1.00 0.00 H HETATM 59 H22 UNL 1 5.961 -0.175 -3.023 1.00 0.00 H HETATM 60 H23 UNL 1 5.120 0.728 -4.367 1.00 0.00 H HETATM 61 H24 UNL 1 4.761 -1.004 -4.126 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 33 41 CONECT 6 7 8 42 CONECT 7 43 44 45 CONECT 8 9 CONECT 9 10 31 46 CONECT 10 11 CONECT 11 12 12 29 CONECT 12 13 20 CONECT 13 14 14 19 CONECT 14 15 47 CONECT 15 16 16 48 CONECT 16 17 18 CONECT 17 49 CONECT 18 19 19 50 CONECT 19 51 CONECT 20 21 CONECT 21 22 22 28 CONECT 22 23 52 CONECT 23 24 25 25 CONECT 24 53 CONECT 25 26 54 CONECT 26 27 28 28 CONECT 27 55 CONECT 28 29 CONECT 29 30 30 CONECT 31 32 33 56 CONECT 32 57 CONECT 33 34 58 CONECT 34 35 CONECT 35 36 37 37 CONECT 36 59 60 61 END