COMPND HMDB0031535 HETATM 1 C1 UNL 1 3.348 0.748 2.539 1.00 0.00 C HETATM 2 O1 UNL 1 2.886 1.208 1.326 1.00 0.00 O HETATM 3 C2 UNL 1 2.419 0.323 0.310 1.00 0.00 C HETATM 4 C3 UNL 1 2.500 -1.064 0.721 1.00 0.00 C HETATM 5 C4 UNL 1 2.099 -2.047 -0.145 1.00 0.00 C HETATM 6 C5 UNL 1 1.645 -1.772 -1.404 1.00 0.00 C HETATM 7 C6 UNL 1 1.581 -0.379 -1.771 1.00 0.00 C HETATM 8 C7 UNL 1 1.950 0.576 -0.904 1.00 0.00 C HETATM 9 O2 UNL 1 1.734 1.954 -1.372 1.00 0.00 O HETATM 10 C8 UNL 1 0.328 2.353 -1.039 1.00 0.00 C HETATM 11 C9 UNL 1 -0.730 1.545 -1.307 1.00 0.00 C HETATM 12 C10 UNL 1 -1.980 2.007 -0.881 1.00 0.00 C HETATM 13 C11 UNL 1 -2.040 3.262 -0.242 1.00 0.00 C HETATM 14 C12 UNL 1 -0.964 4.083 0.010 1.00 0.00 C HETATM 15 C13 UNL 1 0.268 3.559 -0.427 1.00 0.00 C HETATM 16 O3 UNL 1 1.365 4.402 -0.163 1.00 0.00 O HETATM 17 C14 UNL 1 -3.284 1.301 -0.872 1.00 0.00 C HETATM 18 O4 UNL 1 -4.060 1.876 0.204 1.00 0.00 O HETATM 19 C15 UNL 1 -3.307 -0.168 -0.544 1.00 0.00 C HETATM 20 C16 UNL 1 -2.071 -0.673 0.062 1.00 0.00 C HETATM 21 O5 UNL 1 -1.449 0.035 0.832 1.00 0.00 O HETATM 22 C17 UNL 1 -1.486 -2.035 -0.192 1.00 0.00 C HETATM 23 C18 UNL 1 -0.379 -2.390 0.802 1.00 0.00 C HETATM 24 C19 UNL 1 0.284 -3.684 0.446 1.00 0.00 C HETATM 25 C20 UNL 1 1.824 -3.464 0.373 1.00 0.00 C HETATM 26 H1 UNL 1 4.279 0.116 2.499 1.00 0.00 H HETATM 27 H2 UNL 1 3.625 1.632 3.218 1.00 0.00 H HETATM 28 H3 UNL 1 2.625 0.197 3.171 1.00 0.00 H HETATM 29 H4 UNL 1 2.942 -1.086 1.742 1.00 0.00 H HETATM 30 H5 UNL 1 1.337 -2.376 -2.305 1.00 0.00 H HETATM 31 H6 UNL 1 1.248 -0.332 -2.846 1.00 0.00 H HETATM 32 H7 UNL 1 -0.680 0.608 -1.959 1.00 0.00 H HETATM 33 H8 UNL 1 -3.022 3.667 0.096 1.00 0.00 H HETATM 34 H9 UNL 1 -1.029 5.027 0.489 1.00 0.00 H HETATM 35 H10 UNL 1 2.268 4.052 -0.468 1.00 0.00 H HETATM 36 H11 UNL 1 -3.905 1.421 -1.790 1.00 0.00 H HETATM 37 H12 UNL 1 -4.917 2.198 -0.129 1.00 0.00 H HETATM 38 H13 UNL 1 -4.184 -0.416 0.108 1.00 0.00 H HETATM 39 H14 UNL 1 -3.481 -0.713 -1.504 1.00 0.00 H HETATM 40 H15 UNL 1 -1.194 -2.209 -1.223 1.00 0.00 H HETATM 41 H16 UNL 1 -2.313 -2.768 0.034 1.00 0.00 H HETATM 42 H17 UNL 1 0.305 -1.536 0.841 1.00 0.00 H HETATM 43 H18 UNL 1 -0.852 -2.509 1.836 1.00 0.00 H HETATM 44 H19 UNL 1 0.105 -4.454 1.229 1.00 0.00 H HETATM 45 H20 UNL 1 -0.037 -4.057 -0.555 1.00 0.00 H HETATM 46 H21 UNL 1 2.181 -3.727 1.370 1.00 0.00 H HETATM 47 H22 UNL 1 2.218 -4.290 -0.214 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 29 CONECT 5 6 6 25 CONECT 6 7 30 CONECT 7 8 8 31 CONECT 8 9 CONECT 9 10 CONECT 10 11 15 15 CONECT 11 12 12 32 CONECT 12 13 17 CONECT 13 14 14 33 CONECT 14 15 34 CONECT 15 16 CONECT 16 35 CONECT 17 18 19 36 CONECT 18 37 CONECT 19 20 38 39 CONECT 20 21 21 22 CONECT 22 23 40 41 CONECT 23 24 42 43 CONECT 24 25 44 45 CONECT 25 46 47 END