COMPND HMDB0253747 HETATM 1 C1 UNL 1 -5.160 2.277 1.432 1.00 0.00 C HETATM 2 C2 UNL 1 -4.439 0.912 1.323 1.00 0.00 C HETATM 3 C3 UNL 1 -4.290 0.475 -0.083 1.00 0.00 C HETATM 4 C4 UNL 1 -3.576 -0.781 -0.375 1.00 0.00 C HETATM 5 C5 UNL 1 -3.687 -1.051 -1.904 1.00 0.00 C HETATM 6 C6 UNL 1 -4.063 -2.012 0.321 1.00 0.00 C HETATM 7 C7 UNL 1 -2.106 -0.658 -0.116 1.00 0.00 C HETATM 8 C8 UNL 1 -1.587 -0.639 1.137 1.00 0.00 C HETATM 9 C9 UNL 1 -0.217 -0.551 1.406 1.00 0.00 C HETATM 10 C10 UNL 1 0.663 -0.479 0.356 1.00 0.00 C HETATM 11 C11 UNL 1 0.151 -0.499 -0.910 1.00 0.00 C HETATM 12 C12 UNL 1 -1.217 -0.586 -1.169 1.00 0.00 C HETATM 13 O1 UNL 1 1.034 -0.438 -1.988 1.00 0.00 O HETATM 14 C13 UNL 1 2.343 0.024 -1.953 1.00 0.00 C HETATM 15 C14 UNL 1 3.177 -0.890 -2.865 1.00 0.00 C HETATM 16 C15 UNL 1 2.392 1.397 -2.656 1.00 0.00 C HETATM 17 C16 UNL 1 2.906 0.180 -0.591 1.00 0.00 C HETATM 18 C17 UNL 1 4.303 -0.464 -0.454 1.00 0.00 C HETATM 19 C18 UNL 1 4.832 0.028 0.849 1.00 0.00 C HETATM 20 C19 UNL 1 4.052 0.386 1.864 1.00 0.00 C HETATM 21 C20 UNL 1 4.625 0.874 3.153 1.00 0.00 C HETATM 22 C21 UNL 1 2.546 0.317 1.806 1.00 0.00 C HETATM 23 C22 UNL 1 2.124 -0.403 0.533 1.00 0.00 C HETATM 24 H1 UNL 1 -6.138 2.184 0.921 1.00 0.00 H HETATM 25 H2 UNL 1 -4.530 3.086 1.023 1.00 0.00 H HETATM 26 H3 UNL 1 -5.299 2.516 2.523 1.00 0.00 H HETATM 27 H4 UNL 1 -5.185 0.162 1.775 1.00 0.00 H HETATM 28 H5 UNL 1 -3.588 0.970 1.968 1.00 0.00 H HETATM 29 H6 UNL 1 -5.286 0.458 -0.635 1.00 0.00 H HETATM 30 H7 UNL 1 -3.759 1.344 -0.617 1.00 0.00 H HETATM 31 H8 UNL 1 -4.769 -1.351 -2.035 1.00 0.00 H HETATM 32 H9 UNL 1 -3.066 -1.896 -2.194 1.00 0.00 H HETATM 33 H10 UNL 1 -3.513 -0.099 -2.389 1.00 0.00 H HETATM 34 H11 UNL 1 -3.566 -2.136 1.337 1.00 0.00 H HETATM 35 H12 UNL 1 -3.714 -2.928 -0.254 1.00 0.00 H HETATM 36 H13 UNL 1 -5.167 -2.112 0.389 1.00 0.00 H HETATM 37 H14 UNL 1 -2.211 -0.733 2.029 1.00 0.00 H HETATM 38 H15 UNL 1 0.148 -0.535 2.403 1.00 0.00 H HETATM 39 H16 UNL 1 -1.567 -0.587 -2.165 1.00 0.00 H HETATM 40 H17 UNL 1 2.625 -0.923 -3.851 1.00 0.00 H HETATM 41 H18 UNL 1 4.121 -0.361 -3.108 1.00 0.00 H HETATM 42 H19 UNL 1 3.316 -1.879 -2.414 1.00 0.00 H HETATM 43 H20 UNL 1 3.434 1.726 -2.678 1.00 0.00 H HETATM 44 H21 UNL 1 1.799 2.094 -2.048 1.00 0.00 H HETATM 45 H22 UNL 1 2.007 1.278 -3.693 1.00 0.00 H HETATM 46 H23 UNL 1 3.109 1.263 -0.326 1.00 0.00 H HETATM 47 H24 UNL 1 4.082 -1.556 -0.314 1.00 0.00 H HETATM 48 H25 UNL 1 4.970 -0.248 -1.276 1.00 0.00 H HETATM 49 H26 UNL 1 5.930 0.102 1.009 1.00 0.00 H HETATM 50 H27 UNL 1 4.333 0.213 3.979 1.00 0.00 H HETATM 51 H28 UNL 1 5.697 1.064 3.072 1.00 0.00 H HETATM 52 H29 UNL 1 4.111 1.865 3.324 1.00 0.00 H HETATM 53 H30 UNL 1 2.170 1.363 1.809 1.00 0.00 H HETATM 54 H31 UNL 1 2.220 -0.290 2.664 1.00 0.00 H HETATM 55 H32 UNL 1 2.481 -1.476 0.652 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 27 28 CONECT 3 4 29 30 CONECT 4 5 6 7 CONECT 5 31 32 33 CONECT 6 34 35 36 CONECT 7 8 8 12 CONECT 8 9 37 CONECT 9 10 10 38 CONECT 10 11 23 CONECT 11 12 12 13 CONECT 12 39 CONECT 13 14 CONECT 14 15 16 17 CONECT 15 40 41 42 CONECT 16 43 44 45 CONECT 17 18 23 46 CONECT 18 19 47 48 CONECT 19 20 20 49 CONECT 20 21 22 CONECT 21 50 51 52 CONECT 22 23 53 54 CONECT 23 55 END