COMPND HMDB0033261 HETATM 1 C1 UNL 1 -4.387 1.923 1.283 1.00 0.00 C HETATM 2 C2 UNL 1 -3.658 0.626 1.563 1.00 0.00 C HETATM 3 C3 UNL 1 -4.328 -0.495 0.818 1.00 0.00 C HETATM 4 C4 UNL 1 -3.572 -1.780 1.188 1.00 0.00 C HETATM 5 C5 UNL 1 -3.517 -1.945 2.645 1.00 0.00 C HETATM 6 C6 UNL 1 -3.337 -3.217 3.193 1.00 0.00 C HETATM 7 C7 UNL 1 -3.279 -3.401 4.561 1.00 0.00 C HETATM 8 C8 UNL 1 -3.398 -2.334 5.413 1.00 0.00 C HETATM 9 O1 UNL 1 -3.332 -2.574 6.779 1.00 0.00 O HETATM 10 C9 UNL 1 -3.576 -1.075 4.886 1.00 0.00 C HETATM 11 C10 UNL 1 -3.635 -0.886 3.497 1.00 0.00 C HETATM 12 O2 UNL 1 -3.816 0.398 2.976 1.00 0.00 O HETATM 13 C11 UNL 1 -2.203 -1.670 0.559 1.00 0.00 C HETATM 14 O3 UNL 1 -1.393 -2.488 -0.047 1.00 0.00 O HETATM 15 C12 UNL 1 -0.290 -1.895 -0.424 1.00 0.00 C HETATM 16 C13 UNL 1 0.842 -2.335 -1.085 1.00 0.00 C HETATM 17 C14 UNL 1 1.879 -1.477 -1.361 1.00 0.00 C HETATM 18 C15 UNL 1 3.067 -1.992 -2.070 1.00 0.00 C HETATM 19 C16 UNL 1 4.186 -1.264 -2.416 1.00 0.00 C HETATM 20 C17 UNL 1 5.064 -2.105 -3.062 1.00 0.00 C HETATM 21 C18 UNL 1 6.322 -1.981 -3.635 1.00 0.00 C HETATM 22 C19 UNL 1 6.953 -3.061 -4.225 1.00 0.00 C HETATM 23 C20 UNL 1 6.327 -4.290 -4.249 1.00 0.00 C HETATM 24 O4 UNL 1 6.930 -5.406 -4.835 1.00 0.00 O HETATM 25 C21 UNL 1 5.078 -4.413 -3.680 1.00 0.00 C HETATM 26 C22 UNL 1 4.440 -3.333 -3.086 1.00 0.00 C HETATM 27 O5 UNL 1 3.263 -3.201 -2.485 1.00 0.00 O HETATM 28 C23 UNL 1 1.836 -0.148 -0.993 1.00 0.00 C HETATM 29 C24 UNL 1 0.710 0.298 -0.333 1.00 0.00 C HETATM 30 O6 UNL 1 0.658 1.627 0.038 1.00 0.00 O HETATM 31 C25 UNL 1 0.372 2.574 -0.948 1.00 0.00 C HETATM 32 O7 UNL 1 0.172 2.216 -2.135 1.00 0.00 O HETATM 33 C26 UNL 1 0.298 3.992 -0.640 1.00 0.00 C HETATM 34 C27 UNL 1 0.513 4.406 0.656 1.00 0.00 C HETATM 35 C28 UNL 1 0.435 5.757 0.926 1.00 0.00 C HETATM 36 C29 UNL 1 0.152 6.675 -0.063 1.00 0.00 C HETATM 37 O8 UNL 1 0.083 8.026 0.253 1.00 0.00 O HETATM 38 C30 UNL 1 -0.066 6.256 -1.374 1.00 0.00 C HETATM 39 C31 UNL 1 0.015 4.904 -1.627 1.00 0.00 C HETATM 40 O9 UNL 1 -0.198 4.465 -2.926 1.00 0.00 O HETATM 41 C32 UNL 1 -0.329 -0.560 -0.056 1.00 0.00 C HETATM 42 C33 UNL 1 -1.571 -0.429 0.580 1.00 0.00 C HETATM 43 C34 UNL 1 -2.236 0.688 1.218 1.00 0.00 C HETATM 44 O10 UNL 1 -1.523 1.707 1.458 1.00 0.00 O HETATM 45 H1 UNL 1 -5.312 1.913 1.900 1.00 0.00 H HETATM 46 H2 UNL 1 -4.672 1.892 0.204 1.00 0.00 H HETATM 47 H3 UNL 1 -3.711 2.746 1.525 1.00 0.00 H HETATM 48 H4 UNL 1 -4.180 -0.329 -0.269 1.00 0.00 H HETATM 49 H5 UNL 1 -5.380 -0.636 1.089 1.00 0.00 H HETATM 50 H6 UNL 1 -4.147 -2.601 0.686 1.00 0.00 H HETATM 51 H7 UNL 1 -3.246 -4.037 2.523 1.00 0.00 H HETATM 52 H8 UNL 1 -3.136 -4.421 4.926 1.00 0.00 H HETATM 53 H9 UNL 1 -4.096 -2.780 7.378 1.00 0.00 H HETATM 54 H10 UNL 1 -3.670 -0.228 5.548 1.00 0.00 H HETATM 55 H11 UNL 1 0.863 -3.388 -1.371 1.00 0.00 H HETATM 56 H12 UNL 1 4.367 -0.214 -2.225 1.00 0.00 H HETATM 57 H13 UNL 1 6.772 -1.013 -3.595 1.00 0.00 H HETATM 58 H14 UNL 1 7.938 -2.955 -4.671 1.00 0.00 H HETATM 59 H15 UNL 1 7.525 -6.018 -4.263 1.00 0.00 H HETATM 60 H16 UNL 1 4.555 -5.364 -3.680 1.00 0.00 H HETATM 61 H17 UNL 1 2.688 0.463 -1.244 1.00 0.00 H HETATM 62 H18 UNL 1 0.736 3.708 1.445 1.00 0.00 H HETATM 63 H19 UNL 1 0.611 6.049 1.961 1.00 0.00 H HETATM 64 H20 UNL 1 0.241 8.333 1.202 1.00 0.00 H HETATM 65 H21 UNL 1 -0.287 7.000 -2.128 1.00 0.00 H HETATM 66 H22 UNL 1 -0.406 5.092 -3.676 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 3 12 43 CONECT 3 4 48 49 CONECT 4 5 13 50 CONECT 5 6 6 11 CONECT 6 7 51 CONECT 7 8 8 52 CONECT 8 9 10 CONECT 9 53 CONECT 10 11 11 54 CONECT 11 12 CONECT 13 14 42 42 CONECT 14 15 CONECT 15 16 16 41 CONECT 16 17 55 CONECT 17 18 28 28 CONECT 18 19 19 27 CONECT 19 20 56 CONECT 20 21 21 26 CONECT 21 22 57 CONECT 22 23 23 58 CONECT 23 24 25 CONECT 24 59 CONECT 25 26 26 60 CONECT 26 27 CONECT 28 29 61 CONECT 29 30 41 41 CONECT 30 31 CONECT 31 32 32 33 CONECT 33 34 34 39 CONECT 34 35 62 CONECT 35 36 36 63 CONECT 36 37 38 CONECT 37 64 CONECT 38 39 39 65 CONECT 39 40 CONECT 40 66 CONECT 41 42 CONECT 42 43 CONECT 43 44 44 END