COMPND HMDB0030794 HETATM 1 C1 UNL 1 3.879 3.119 -2.031 1.00 0.00 C HETATM 2 C2 UNL 1 3.021 1.915 -2.201 1.00 0.00 C HETATM 3 C3 UNL 1 3.186 1.101 -3.424 1.00 0.00 C HETATM 4 C4 UNL 1 2.126 1.584 -1.303 1.00 0.00 C HETATM 5 C5 UNL 1 1.213 0.419 -1.344 1.00 0.00 C HETATM 6 C6 UNL 1 1.421 -0.375 -0.107 1.00 0.00 C HETATM 7 C7 UNL 1 2.526 -1.183 0.031 1.00 0.00 C HETATM 8 C8 UNL 1 2.726 -1.932 1.196 1.00 0.00 C HETATM 9 C9 UNL 1 1.789 -1.838 2.197 1.00 0.00 C HETATM 10 O1 UNL 1 1.878 -2.527 3.390 1.00 0.00 O HETATM 11 C10 UNL 1 0.662 -1.018 2.064 1.00 0.00 C HETATM 12 C11 UNL 1 0.471 -0.283 0.914 1.00 0.00 C HETATM 13 O2 UNL 1 -0.646 0.546 0.752 1.00 0.00 O HETATM 14 C12 UNL 1 -1.699 0.650 1.654 1.00 0.00 C HETATM 15 C13 UNL 1 -1.469 -0.056 2.936 1.00 0.00 C HETATM 16 C14 UNL 1 -2.382 0.160 3.892 1.00 0.00 C HETATM 17 C15 UNL 1 -3.601 0.902 3.393 1.00 0.00 C HETATM 18 C16 UNL 1 -3.045 2.281 3.004 1.00 0.00 C HETATM 19 C17 UNL 1 -2.056 2.116 1.887 1.00 0.00 C HETATM 20 C18 UNL 1 -2.767 2.402 0.583 1.00 0.00 C HETATM 21 C19 UNL 1 -1.747 2.767 -0.504 1.00 0.00 C HETATM 22 C20 UNL 1 -3.715 3.576 0.714 1.00 0.00 C HETATM 23 O3 UNL 1 -3.393 1.253 0.184 1.00 0.00 O HETATM 24 C21 UNL 1 -3.039 0.220 1.021 1.00 0.00 C HETATM 25 C22 UNL 1 -2.881 -1.086 0.296 1.00 0.00 C HETATM 26 C23 UNL 1 -4.089 -1.581 -0.343 1.00 0.00 C HETATM 27 C24 UNL 1 -4.225 -1.792 -1.638 1.00 0.00 C HETATM 28 C25 UNL 1 -5.544 -2.310 -2.151 1.00 0.00 C HETATM 29 C26 UNL 1 -3.161 -1.547 -2.590 1.00 0.00 C HETATM 30 O4 UNL 1 -3.372 -1.776 -3.817 1.00 0.00 O HETATM 31 C27 UNL 1 -3.987 0.199 2.148 1.00 0.00 C HETATM 32 O5 UNL 1 -5.040 -0.361 2.081 1.00 0.00 O HETATM 33 C28 UNL 1 -0.327 -0.921 3.131 1.00 0.00 C HETATM 34 O6 UNL 1 -0.204 -1.570 4.204 1.00 0.00 O HETATM 35 C29 UNL 1 3.904 -2.773 1.308 1.00 0.00 C HETATM 36 C30 UNL 1 4.775 -2.839 0.339 1.00 0.00 C HETATM 37 C31 UNL 1 4.646 -2.093 -0.909 1.00 0.00 C HETATM 38 C32 UNL 1 4.676 -2.988 -2.133 1.00 0.00 C HETATM 39 C33 UNL 1 5.826 -1.134 -1.069 1.00 0.00 C HETATM 40 O7 UNL 1 3.493 -1.315 -0.936 1.00 0.00 O HETATM 41 H1 UNL 1 4.824 2.998 -2.615 1.00 0.00 H HETATM 42 H2 UNL 1 3.347 3.981 -2.530 1.00 0.00 H HETATM 43 H3 UNL 1 4.071 3.364 -0.972 1.00 0.00 H HETATM 44 H4 UNL 1 3.190 0.019 -3.274 1.00 0.00 H HETATM 45 H5 UNL 1 4.115 1.398 -3.962 1.00 0.00 H HETATM 46 H6 UNL 1 2.358 1.383 -4.129 1.00 0.00 H HETATM 47 H7 UNL 1 2.032 2.232 -0.417 1.00 0.00 H HETATM 48 H8 UNL 1 0.161 0.776 -1.429 1.00 0.00 H HETATM 49 H9 UNL 1 1.479 -0.199 -2.219 1.00 0.00 H HETATM 50 H10 UNL 1 2.613 -3.142 3.629 1.00 0.00 H HETATM 51 H11 UNL 1 -2.268 -0.155 4.901 1.00 0.00 H HETATM 52 H12 UNL 1 -4.384 0.965 4.141 1.00 0.00 H HETATM 53 H13 UNL 1 -2.602 2.722 3.916 1.00 0.00 H HETATM 54 H14 UNL 1 -3.926 2.897 2.735 1.00 0.00 H HETATM 55 H15 UNL 1 -1.148 2.735 2.012 1.00 0.00 H HETATM 56 H16 UNL 1 -0.700 2.713 -0.105 1.00 0.00 H HETATM 57 H17 UNL 1 -1.869 2.136 -1.403 1.00 0.00 H HETATM 58 H18 UNL 1 -1.889 3.817 -0.847 1.00 0.00 H HETATM 59 H19 UNL 1 -3.762 4.088 -0.291 1.00 0.00 H HETATM 60 H20 UNL 1 -3.361 4.346 1.414 1.00 0.00 H HETATM 61 H21 UNL 1 -4.755 3.235 0.903 1.00 0.00 H HETATM 62 H22 UNL 1 -2.078 -0.951 -0.445 1.00 0.00 H HETATM 63 H23 UNL 1 -2.500 -1.831 1.034 1.00 0.00 H HETATM 64 H24 UNL 1 -4.964 -1.804 0.277 1.00 0.00 H HETATM 65 H25 UNL 1 -5.546 -3.408 -2.216 1.00 0.00 H HETATM 66 H26 UNL 1 -6.327 -2.032 -1.406 1.00 0.00 H HETATM 67 H27 UNL 1 -5.827 -1.852 -3.102 1.00 0.00 H HETATM 68 H28 UNL 1 -2.174 -1.179 -2.371 1.00 0.00 H HETATM 69 H29 UNL 1 4.017 -3.343 2.243 1.00 0.00 H HETATM 70 H30 UNL 1 5.628 -3.500 0.516 1.00 0.00 H HETATM 71 H31 UNL 1 5.708 -3.365 -2.266 1.00 0.00 H HETATM 72 H32 UNL 1 4.466 -2.332 -3.010 1.00 0.00 H HETATM 73 H33 UNL 1 3.931 -3.793 -2.089 1.00 0.00 H HETATM 74 H34 UNL 1 5.741 -0.276 -0.383 1.00 0.00 H HETATM 75 H35 UNL 1 6.756 -1.726 -0.920 1.00 0.00 H HETATM 76 H36 UNL 1 5.812 -0.830 -2.141 1.00 0.00 H CONECT 1 2 41 42 43 CONECT 2 3 4 4 CONECT 3 44 45 46 CONECT 4 5 47 CONECT 5 6 48 49 CONECT 6 7 12 12 CONECT 7 8 8 40 CONECT 8 9 35 CONECT 9 10 11 11 CONECT 10 50 CONECT 11 12 33 CONECT 12 13 CONECT 13 14 CONECT 14 15 19 24 CONECT 15 16 16 33 CONECT 16 17 51 CONECT 17 18 31 52 CONECT 18 19 53 54 CONECT 19 20 55 CONECT 20 21 22 23 CONECT 21 56 57 58 CONECT 22 59 60 61 CONECT 23 24 CONECT 24 25 31 CONECT 25 26 62 63 CONECT 26 27 27 64 CONECT 27 28 29 CONECT 28 65 66 67 CONECT 29 30 30 68 CONECT 31 32 32 CONECT 33 34 34 CONECT 35 36 36 69 CONECT 36 37 70 CONECT 37 38 39 40 CONECT 38 71 72 73 CONECT 39 74 75 76 END