COMPND HMDB0039193 HETATM 1 O1 UNL 1 -2.394 -0.900 -0.422 1.00 0.00 O HETATM 2 C1 UNL 1 -2.840 -0.411 0.607 1.00 0.00 C HETATM 3 C2 UNL 1 -4.195 -0.226 1.063 1.00 0.00 C HETATM 4 C3 UNL 1 -5.241 -0.620 0.440 1.00 0.00 C HETATM 5 C4 UNL 1 -5.294 -1.334 -0.804 1.00 0.00 C HETATM 6 C5 UNL 1 -6.372 -1.038 -1.675 1.00 0.00 C HETATM 7 C6 UNL 1 -6.623 -1.709 -2.829 1.00 0.00 C HETATM 8 C7 UNL 1 -5.819 -2.746 -3.229 1.00 0.00 C HETATM 9 O2 UNL 1 -6.089 -3.421 -4.413 1.00 0.00 O HETATM 10 C8 UNL 1 -4.765 -3.070 -2.417 1.00 0.00 C HETATM 11 C9 UNL 1 -4.516 -2.373 -1.228 1.00 0.00 C HETATM 12 O3 UNL 1 -1.774 0.031 1.455 1.00 0.00 O HETATM 13 C10 UNL 1 -0.452 -0.098 1.114 1.00 0.00 C HETATM 14 C11 UNL 1 0.136 1.296 0.950 1.00 0.00 C HETATM 15 O4 UNL 1 -0.784 2.004 0.132 1.00 0.00 O HETATM 16 C12 UNL 1 -1.445 3.138 0.528 1.00 0.00 C HETATM 17 O5 UNL 1 -1.233 3.585 1.675 1.00 0.00 O HETATM 18 C13 UNL 1 -2.386 3.849 -0.330 1.00 0.00 C HETATM 19 C14 UNL 1 -2.654 3.407 -1.607 1.00 0.00 C HETATM 20 C15 UNL 1 -3.550 4.065 -2.453 1.00 0.00 C HETATM 21 O6 UNL 1 -3.827 3.631 -3.736 1.00 0.00 O HETATM 22 C16 UNL 1 -4.199 5.209 -1.993 1.00 0.00 C HETATM 23 O7 UNL 1 -5.106 5.888 -2.826 1.00 0.00 O HETATM 24 C17 UNL 1 -3.942 5.658 -0.725 1.00 0.00 C HETATM 25 O8 UNL 1 -4.604 6.805 -0.287 1.00 0.00 O HETATM 26 C18 UNL 1 -3.041 4.981 0.099 1.00 0.00 C HETATM 27 O9 UNL 1 1.297 1.146 0.247 1.00 0.00 O HETATM 28 C19 UNL 1 2.269 0.353 0.888 1.00 0.00 C HETATM 29 C20 UNL 1 3.413 0.305 -0.067 1.00 0.00 C HETATM 30 O10 UNL 1 4.535 -0.407 0.234 1.00 0.00 O HETATM 31 C21 UNL 1 4.870 -1.705 0.284 1.00 0.00 C HETATM 32 O11 UNL 1 4.029 -2.574 -0.021 1.00 0.00 O HETATM 33 C22 UNL 1 6.215 -2.187 0.690 1.00 0.00 C HETATM 34 C23 UNL 1 6.495 -3.536 0.701 1.00 0.00 C HETATM 35 C24 UNL 1 7.726 -4.053 1.069 1.00 0.00 C HETATM 36 O12 UNL 1 7.986 -5.416 1.073 1.00 0.00 O HETATM 37 C25 UNL 1 8.677 -3.106 1.431 1.00 0.00 C HETATM 38 O13 UNL 1 9.942 -3.573 1.812 1.00 0.00 O HETATM 39 C26 UNL 1 8.434 -1.752 1.432 1.00 0.00 C HETATM 40 O14 UNL 1 9.465 -0.875 1.816 1.00 0.00 O HETATM 41 C27 UNL 1 7.197 -1.301 1.058 1.00 0.00 C HETATM 42 C28 UNL 1 1.814 -0.950 1.362 1.00 0.00 C HETATM 43 O15 UNL 1 2.698 -1.432 2.334 1.00 0.00 O HETATM 44 C29 UNL 1 0.414 -0.870 2.045 1.00 0.00 C HETATM 45 O16 UNL 1 0.648 -0.255 3.250 1.00 0.00 O HETATM 46 H1 UNL 1 -4.339 0.314 2.056 1.00 0.00 H HETATM 47 H2 UNL 1 -6.238 -0.375 0.933 1.00 0.00 H HETATM 48 H3 UNL 1 -7.023 -0.223 -1.384 1.00 0.00 H HETATM 49 H4 UNL 1 -7.461 -1.467 -3.492 1.00 0.00 H HETATM 50 H5 UNL 1 -6.713 -4.230 -4.324 1.00 0.00 H HETATM 51 H6 UNL 1 -4.124 -3.881 -2.716 1.00 0.00 H HETATM 52 H7 UNL 1 -3.714 -2.749 -0.610 1.00 0.00 H HETATM 53 H8 UNL 1 -0.364 -0.576 0.118 1.00 0.00 H HETATM 54 H9 UNL 1 0.201 1.833 1.903 1.00 0.00 H HETATM 55 H10 UNL 1 -2.171 2.524 -2.000 1.00 0.00 H HETATM 56 H11 UNL 1 -3.395 2.813 -4.136 1.00 0.00 H HETATM 57 H12 UNL 1 -5.559 6.711 -2.465 1.00 0.00 H HETATM 58 H13 UNL 1 -4.484 7.214 0.623 1.00 0.00 H HETATM 59 H14 UNL 1 -2.855 5.350 1.084 1.00 0.00 H HETATM 60 H15 UNL 1 2.640 0.944 1.785 1.00 0.00 H HETATM 61 H16 UNL 1 2.946 -0.093 -1.056 1.00 0.00 H HETATM 62 H17 UNL 1 3.726 1.367 -0.319 1.00 0.00 H HETATM 63 H18 UNL 1 5.735 -4.249 0.414 1.00 0.00 H HETATM 64 H19 UNL 1 7.230 -6.027 0.793 1.00 0.00 H HETATM 65 H20 UNL 1 10.666 -2.921 2.083 1.00 0.00 H HETATM 66 H21 UNL 1 9.255 0.119 1.807 1.00 0.00 H HETATM 67 H22 UNL 1 6.969 -0.245 1.047 1.00 0.00 H HETATM 68 H23 UNL 1 1.664 -1.660 0.540 1.00 0.00 H HETATM 69 H24 UNL 1 2.301 -2.177 2.814 1.00 0.00 H HETATM 70 H25 UNL 1 0.112 -1.933 2.131 1.00 0.00 H HETATM 71 H26 UNL 1 -0.118 0.204 3.646 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 12 CONECT 3 4 4 46 CONECT 4 5 47 CONECT 5 6 6 11 CONECT 6 7 48 CONECT 7 8 8 49 CONECT 8 9 10 CONECT 9 50 CONECT 10 11 11 51 CONECT 11 52 CONECT 12 13 CONECT 13 14 44 53 CONECT 14 15 27 54 CONECT 15 16 CONECT 16 17 17 18 CONECT 18 19 19 26 CONECT 19 20 55 CONECT 20 21 22 22 CONECT 21 56 CONECT 22 23 24 CONECT 23 57 CONECT 24 25 26 26 CONECT 25 58 CONECT 26 59 CONECT 27 28 CONECT 28 29 42 60 CONECT 29 30 61 62 CONECT 30 31 CONECT 31 32 32 33 CONECT 33 34 34 41 CONECT 34 35 63 CONECT 35 36 37 37 CONECT 36 64 CONECT 37 38 39 CONECT 38 65 CONECT 39 40 41 41 CONECT 40 66 CONECT 41 67 CONECT 42 43 44 68 CONECT 43 69 CONECT 44 45 70 CONECT 45 71 END