COMPND HMDB0015559 HETATM 1 C1 UNL 1 5.277 -3.017 -0.124 1.00 0.00 C HETATM 2 N1 UNL 1 4.361 -1.919 -0.119 1.00 0.00 N HETATM 3 C2 UNL 1 4.607 -0.975 0.961 1.00 0.00 C HETATM 4 C3 UNL 1 3.358 -0.764 1.791 1.00 0.00 C HETATM 5 N2 UNL 1 2.222 -0.333 0.993 1.00 0.00 N HETATM 6 C4 UNL 1 2.364 1.089 0.742 1.00 0.00 C HETATM 7 C5 UNL 1 1.210 1.676 -0.040 1.00 0.00 C HETATM 8 C6 UNL 1 -0.096 1.531 0.680 1.00 0.00 C HETATM 9 N3 UNL 1 -1.225 2.121 -0.037 1.00 0.00 N HETATM 10 C7 UNL 1 -1.345 3.552 -0.014 1.00 0.00 C HETATM 11 C8 UNL 1 -0.409 4.294 0.711 1.00 0.00 C HETATM 12 C9 UNL 1 -0.476 5.691 0.776 1.00 0.00 C HETATM 13 C10 UNL 1 -1.456 6.377 0.136 1.00 0.00 C HETATM 14 C11 UNL 1 -2.369 5.626 -0.574 1.00 0.00 C HETATM 15 C12 UNL 1 -2.314 4.269 -0.644 1.00 0.00 C HETATM 16 S1 UNL 1 -3.568 3.473 -1.584 1.00 0.00 S HETATM 17 C13 UNL 1 -3.221 1.701 -1.473 1.00 0.00 C HETATM 18 C14 UNL 1 -4.056 0.843 -2.134 1.00 0.00 C HETATM 19 C15 UNL 1 -3.821 -0.504 -2.081 1.00 0.00 C HETATM 20 C16 UNL 1 -2.754 -1.011 -1.371 1.00 0.00 C HETATM 21 S2 UNL 1 -2.458 -2.740 -1.304 1.00 0.00 S HETATM 22 O1 UNL 1 -2.909 -3.411 -2.571 1.00 0.00 O HETATM 23 O2 UNL 1 -0.991 -2.955 -1.067 1.00 0.00 O HETATM 24 N4 UNL 1 -3.315 -3.357 0.050 1.00 0.00 N HETATM 25 C17 UNL 1 -2.827 -2.753 1.259 1.00 0.00 C HETATM 26 C18 UNL 1 -3.302 -4.784 0.144 1.00 0.00 C HETATM 27 C19 UNL 1 -1.952 -0.106 -0.729 1.00 0.00 C HETATM 28 C20 UNL 1 -2.141 1.285 -0.745 1.00 0.00 C HETATM 29 C21 UNL 1 2.148 -1.067 -0.260 1.00 0.00 C HETATM 30 C22 UNL 1 2.967 -2.331 -0.110 1.00 0.00 C HETATM 31 H1 UNL 1 6.258 -2.706 0.283 1.00 0.00 H HETATM 32 H2 UNL 1 5.453 -3.328 -1.193 1.00 0.00 H HETATM 33 H3 UNL 1 4.872 -3.890 0.420 1.00 0.00 H HETATM 34 H4 UNL 1 5.358 -1.439 1.633 1.00 0.00 H HETATM 35 H5 UNL 1 5.019 -0.014 0.619 1.00 0.00 H HETATM 36 H6 UNL 1 3.595 0.045 2.524 1.00 0.00 H HETATM 37 H7 UNL 1 3.081 -1.649 2.369 1.00 0.00 H HETATM 38 H8 UNL 1 2.436 1.564 1.763 1.00 0.00 H HETATM 39 H9 UNL 1 3.292 1.226 0.154 1.00 0.00 H HETATM 40 H10 UNL 1 1.200 1.044 -0.999 1.00 0.00 H HETATM 41 H11 UNL 1 1.401 2.688 -0.420 1.00 0.00 H HETATM 42 H12 UNL 1 -0.345 0.511 0.985 1.00 0.00 H HETATM 43 H13 UNL 1 0.050 2.055 1.670 1.00 0.00 H HETATM 44 H14 UNL 1 0.393 3.869 1.257 1.00 0.00 H HETATM 45 H15 UNL 1 0.273 6.234 1.352 1.00 0.00 H HETATM 46 H16 UNL 1 -1.510 7.454 0.183 1.00 0.00 H HETATM 47 H17 UNL 1 -3.153 6.211 -1.083 1.00 0.00 H HETATM 48 H18 UNL 1 -4.888 1.254 -2.687 1.00 0.00 H HETATM 49 H19 UNL 1 -4.474 -1.209 -2.600 1.00 0.00 H HETATM 50 H20 UNL 1 -2.832 -3.457 2.123 1.00 0.00 H HETATM 51 H21 UNL 1 -1.775 -2.431 1.131 1.00 0.00 H HETATM 52 H22 UNL 1 -3.427 -1.869 1.571 1.00 0.00 H HETATM 53 H23 UNL 1 -3.240 -5.131 1.191 1.00 0.00 H HETATM 54 H24 UNL 1 -4.263 -5.188 -0.261 1.00 0.00 H HETATM 55 H25 UNL 1 -2.496 -5.213 -0.479 1.00 0.00 H HETATM 56 H26 UNL 1 -1.125 -0.542 -0.197 1.00 0.00 H HETATM 57 H27 UNL 1 2.684 -0.439 -1.009 1.00 0.00 H HETATM 58 H28 UNL 1 1.110 -1.267 -0.531 1.00 0.00 H HETATM 59 H29 UNL 1 2.698 -2.895 0.802 1.00 0.00 H HETATM 60 H30 UNL 1 2.846 -2.990 -1.012 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 30 CONECT 3 4 34 35 CONECT 4 5 36 37 CONECT 5 6 29 CONECT 6 7 38 39 CONECT 7 8 40 41 CONECT 8 9 42 43 CONECT 9 10 28 CONECT 10 11 11 15 CONECT 11 12 44 CONECT 12 13 13 45 CONECT 13 14 46 CONECT 14 15 15 47 CONECT 15 16 CONECT 16 17 CONECT 17 18 18 28 CONECT 18 19 48 CONECT 19 20 20 49 CONECT 20 21 27 CONECT 21 22 22 23 23 CONECT 21 24 CONECT 24 25 26 CONECT 25 50 51 52 CONECT 26 53 54 55 CONECT 27 28 28 56 CONECT 29 30 57 58 CONECT 30 59 60 END