COMPND HMDB0035464 HETATM 1 C1 UNL 1 -4.554 6.963 2.220 1.00 0.00 C HETATM 2 C2 UNL 1 -3.957 6.235 1.037 1.00 0.00 C HETATM 3 O1 UNL 1 -4.736 6.070 0.077 1.00 0.00 O HETATM 4 O2 UNL 1 -2.710 5.787 0.978 1.00 0.00 O HETATM 5 C3 UNL 1 -1.904 5.114 0.115 1.00 0.00 C HETATM 6 C4 UNL 1 -2.219 3.694 -0.148 1.00 0.00 C HETATM 7 O3 UNL 1 -1.197 3.123 -0.997 1.00 0.00 O HETATM 8 C5 UNL 1 -1.213 1.739 -0.661 1.00 0.00 C HETATM 9 O4 UNL 1 -0.062 1.109 -1.091 1.00 0.00 O HETATM 10 C6 UNL 1 0.866 0.471 -0.321 1.00 0.00 C HETATM 11 C7 UNL 1 0.763 0.378 1.035 1.00 0.00 C HETATM 12 C8 UNL 1 1.716 -0.275 1.814 1.00 0.00 C HETATM 13 O5 UNL 1 1.601 -0.365 3.196 1.00 0.00 O HETATM 14 C9 UNL 1 2.800 -0.850 1.222 1.00 0.00 C HETATM 15 C10 UNL 1 3.755 -1.504 1.989 1.00 0.00 C HETATM 16 O6 UNL 1 3.639 -1.575 3.223 1.00 0.00 O HETATM 17 C11 UNL 1 4.829 -2.060 1.284 1.00 0.00 C HETATM 18 C12 UNL 1 4.941 -1.971 -0.079 1.00 0.00 C HETATM 19 C13 UNL 1 6.078 -2.566 -0.780 1.00 0.00 C HETATM 20 C14 UNL 1 7.097 -3.240 -0.160 1.00 0.00 C HETATM 21 C15 UNL 1 8.169 -3.797 -0.866 1.00 0.00 C HETATM 22 C16 UNL 1 8.238 -3.683 -2.231 1.00 0.00 C HETATM 23 O7 UNL 1 9.289 -4.224 -2.960 1.00 0.00 O HETATM 24 C17 UNL 1 7.220 -3.008 -2.859 1.00 0.00 C HETATM 25 C18 UNL 1 6.160 -2.456 -2.176 1.00 0.00 C HETATM 26 O8 UNL 1 3.995 -1.336 -0.738 1.00 0.00 O HETATM 27 C19 UNL 1 2.948 -0.781 -0.152 1.00 0.00 C HETATM 28 C20 UNL 1 1.995 -0.133 -0.889 1.00 0.00 C HETATM 29 C21 UNL 1 -2.475 1.126 -1.247 1.00 0.00 C HETATM 30 O9 UNL 1 -3.065 0.333 -0.279 1.00 0.00 O HETATM 31 C22 UNL 1 -3.053 -1.008 -0.589 1.00 0.00 C HETATM 32 O10 UNL 1 -4.319 -1.511 -0.513 1.00 0.00 O HETATM 33 C23 UNL 1 -4.296 -2.755 0.092 1.00 0.00 C HETATM 34 C24 UNL 1 -2.851 -3.193 0.173 1.00 0.00 C HETATM 35 O11 UNL 1 -2.455 -3.748 -1.020 1.00 0.00 O HETATM 36 C25 UNL 1 -2.605 -4.102 1.353 1.00 0.00 C HETATM 37 O12 UNL 1 -3.003 -3.542 2.546 1.00 0.00 O HETATM 38 C26 UNL 1 -2.183 -1.826 0.377 1.00 0.00 C HETATM 39 O13 UNL 1 -2.309 -1.389 1.676 1.00 0.00 O HETATM 40 C27 UNL 1 -3.338 2.204 -1.787 1.00 0.00 C HETATM 41 O14 UNL 1 -2.721 2.751 -2.904 1.00 0.00 O HETATM 42 C28 UNL 1 -3.530 3.376 -0.787 1.00 0.00 C HETATM 43 O15 UNL 1 -4.546 3.072 0.090 1.00 0.00 O HETATM 44 H1 UNL 1 -3.776 7.172 2.975 1.00 0.00 H HETATM 45 H2 UNL 1 -5.331 6.343 2.700 1.00 0.00 H HETATM 46 H3 UNL 1 -4.935 7.944 1.878 1.00 0.00 H HETATM 47 H4 UNL 1 -0.805 5.261 0.331 1.00 0.00 H HETATM 48 H5 UNL 1 -2.021 5.649 -0.907 1.00 0.00 H HETATM 49 H6 UNL 1 -2.151 3.111 0.791 1.00 0.00 H HETATM 50 H7 UNL 1 -1.348 1.697 0.441 1.00 0.00 H HETATM 51 H8 UNL 1 -0.056 0.801 1.582 1.00 0.00 H HETATM 52 H9 UNL 1 0.819 0.042 3.698 1.00 0.00 H HETATM 53 H10 UNL 1 5.567 -2.565 1.881 1.00 0.00 H HETATM 54 H11 UNL 1 7.096 -3.362 0.916 1.00 0.00 H HETATM 55 H12 UNL 1 8.959 -4.327 -0.323 1.00 0.00 H HETATM 56 H13 UNL 1 10.092 -3.607 -3.101 1.00 0.00 H HETATM 57 H14 UNL 1 7.272 -2.914 -3.951 1.00 0.00 H HETATM 58 H15 UNL 1 5.355 -1.922 -2.675 1.00 0.00 H HETATM 59 H16 UNL 1 2.123 -0.086 -1.968 1.00 0.00 H HETATM 60 H17 UNL 1 -2.107 0.474 -2.089 1.00 0.00 H HETATM 61 H18 UNL 1 -2.558 -1.182 -1.590 1.00 0.00 H HETATM 62 H19 UNL 1 -4.951 -3.495 -0.382 1.00 0.00 H HETATM 63 H20 UNL 1 -4.619 -2.586 1.161 1.00 0.00 H HETATM 64 H21 UNL 1 -3.246 -4.015 -1.540 1.00 0.00 H HETATM 65 H22 UNL 1 -3.237 -5.008 1.191 1.00 0.00 H HETATM 66 H23 UNL 1 -1.562 -4.473 1.380 1.00 0.00 H HETATM 67 H24 UNL 1 -3.045 -4.245 3.242 1.00 0.00 H HETATM 68 H25 UNL 1 -1.135 -1.874 0.014 1.00 0.00 H HETATM 69 H26 UNL 1 -1.459 -1.523 2.187 1.00 0.00 H HETATM 70 H27 UNL 1 -4.358 1.895 -2.051 1.00 0.00 H HETATM 71 H28 UNL 1 -3.397 3.030 -3.592 1.00 0.00 H HETATM 72 H29 UNL 1 -3.843 4.202 -1.447 1.00 0.00 H HETATM 73 H30 UNL 1 -4.141 2.916 0.984 1.00 0.00 H CONECT 1 2 44 45 46 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 47 48 CONECT 6 7 42 49 CONECT 7 8 CONECT 8 9 29 50 CONECT 9 10 CONECT 10 11 11 28 CONECT 11 12 51 CONECT 12 13 14 14 CONECT 13 52 CONECT 14 15 27 CONECT 15 16 16 17 CONECT 17 18 18 53 CONECT 18 19 26 CONECT 19 20 20 25 CONECT 20 21 54 CONECT 21 22 22 55 CONECT 22 23 24 CONECT 23 56 CONECT 24 25 25 57 CONECT 25 58 CONECT 26 27 CONECT 27 28 28 CONECT 28 59 CONECT 29 30 40 60 CONECT 30 31 CONECT 31 32 38 61 CONECT 32 33 CONECT 33 34 62 63 CONECT 34 35 36 38 CONECT 35 64 CONECT 36 37 65 66 CONECT 37 67 CONECT 38 39 68 CONECT 39 69 CONECT 40 41 42 70 CONECT 41 71 CONECT 42 43 72 CONECT 43 73 END