COMPND HMDB0034687 HETATM 1 O1 UNL 1 2.206 -0.283 1.890 1.00 0.00 O HETATM 2 C1 UNL 1 3.385 -0.335 1.437 1.00 0.00 C HETATM 3 O2 UNL 1 3.879 -1.552 1.153 1.00 0.00 O HETATM 4 C2 UNL 1 3.404 -2.829 1.212 1.00 0.00 C HETATM 5 C3 UNL 1 2.313 -3.254 0.313 1.00 0.00 C HETATM 6 O3 UNL 1 1.059 -2.770 0.412 1.00 0.00 O HETATM 7 C4 UNL 1 0.499 -2.787 -0.912 1.00 0.00 C HETATM 8 O4 UNL 1 -0.801 -2.327 -0.945 1.00 0.00 O HETATM 9 C5 UNL 1 -1.550 -1.402 -0.364 1.00 0.00 C HETATM 10 C6 UNL 1 -1.118 -0.720 0.779 1.00 0.00 C HETATM 11 C7 UNL 1 -1.900 0.228 1.370 1.00 0.00 C HETATM 12 C8 UNL 1 -3.170 0.610 0.903 1.00 0.00 C HETATM 13 C9 UNL 1 -3.931 1.494 1.708 1.00 0.00 C HETATM 14 C10 UNL 1 -4.794 2.364 1.303 1.00 0.00 C HETATM 15 C11 UNL 1 -5.126 2.635 -0.064 1.00 0.00 C HETATM 16 C12 UNL 1 -6.435 3.056 -0.342 1.00 0.00 C HETATM 17 C13 UNL 1 -6.863 3.504 -1.556 1.00 0.00 C HETATM 18 O5 UNL 1 -8.190 3.911 -1.777 1.00 0.00 O HETATM 19 C14 UNL 1 -5.986 3.557 -2.598 1.00 0.00 C HETATM 20 C15 UNL 1 -4.693 3.159 -2.389 1.00 0.00 C HETATM 21 O6 UNL 1 -3.778 3.211 -3.443 1.00 0.00 O HETATM 22 C16 UNL 1 -4.258 2.701 -1.139 1.00 0.00 C HETATM 23 C17 UNL 1 -3.574 -0.081 -0.225 1.00 0.00 C HETATM 24 C18 UNL 1 -2.823 -1.046 -0.856 1.00 0.00 C HETATM 25 C19 UNL 1 0.577 -4.117 -1.553 1.00 0.00 C HETATM 26 O7 UNL 1 0.420 -3.947 -2.954 1.00 0.00 O HETATM 27 C20 UNL 1 1.755 -4.961 -1.301 1.00 0.00 C HETATM 28 O8 UNL 1 2.845 -4.605 -2.110 1.00 0.00 O HETATM 29 C21 UNL 1 2.252 -4.782 0.130 1.00 0.00 C HETATM 30 O9 UNL 1 1.422 -5.364 1.066 1.00 0.00 O HETATM 31 C22 UNL 1 4.093 0.943 1.269 1.00 0.00 C HETATM 32 C23 UNL 1 5.365 0.984 0.753 1.00 0.00 C HETATM 33 C24 UNL 1 6.050 2.202 0.586 1.00 0.00 C HETATM 34 O10 UNL 1 7.327 2.250 0.068 1.00 0.00 O HETATM 35 C25 UNL 1 5.439 3.387 0.947 1.00 0.00 C HETATM 36 O11 UNL 1 6.122 4.584 0.783 1.00 0.00 O HETATM 37 C26 UNL 1 4.166 3.320 1.461 1.00 0.00 C HETATM 38 O12 UNL 1 3.540 4.515 1.829 1.00 0.00 O HETATM 39 C27 UNL 1 3.492 2.142 1.628 1.00 0.00 C HETATM 40 H1 UNL 1 4.285 -3.517 0.987 1.00 0.00 H HETATM 41 H2 UNL 1 3.174 -3.137 2.302 1.00 0.00 H HETATM 42 H3 UNL 1 2.673 -2.904 -0.743 1.00 0.00 H HETATM 43 H4 UNL 1 1.157 -2.022 -1.461 1.00 0.00 H HETATM 44 H5 UNL 1 -0.156 -0.978 1.192 1.00 0.00 H HETATM 45 H6 UNL 1 -1.510 0.731 2.273 1.00 0.00 H HETATM 46 H7 UNL 1 -3.750 1.416 2.843 1.00 0.00 H HETATM 47 H8 UNL 1 -5.329 2.977 2.107 1.00 0.00 H HETATM 48 H9 UNL 1 -7.172 3.031 0.473 1.00 0.00 H HETATM 49 H10 UNL 1 -8.388 4.904 -1.612 1.00 0.00 H HETATM 50 H11 UNL 1 -6.293 3.910 -3.576 1.00 0.00 H HETATM 51 H12 UNL 1 -3.637 2.414 -4.082 1.00 0.00 H HETATM 52 H13 UNL 1 -3.216 2.436 -0.996 1.00 0.00 H HETATM 53 H14 UNL 1 -4.590 0.123 -0.632 1.00 0.00 H HETATM 54 H15 UNL 1 -3.188 -1.572 -1.762 1.00 0.00 H HETATM 55 H16 UNL 1 -0.328 -4.695 -1.188 1.00 0.00 H HETATM 56 H17 UNL 1 -0.456 -3.506 -3.049 1.00 0.00 H HETATM 57 H18 UNL 1 1.526 -6.050 -1.475 1.00 0.00 H HETATM 58 H19 UNL 1 2.893 -5.242 -2.851 1.00 0.00 H HETATM 59 H20 UNL 1 3.295 -5.195 0.180 1.00 0.00 H HETATM 60 H21 UNL 1 1.944 -6.072 1.514 1.00 0.00 H HETATM 61 H22 UNL 1 5.903 0.102 0.448 1.00 0.00 H HETATM 62 H23 UNL 1 7.784 3.145 -0.034 1.00 0.00 H HETATM 63 H24 UNL 1 5.650 5.438 1.057 1.00 0.00 H HETATM 64 H25 UNL 1 2.622 4.588 2.209 1.00 0.00 H HETATM 65 H26 UNL 1 2.488 2.078 2.033 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 31 CONECT 3 4 CONECT 4 5 40 41 CONECT 5 6 29 42 CONECT 6 7 CONECT 7 8 25 43 CONECT 8 9 CONECT 9 10 10 24 CONECT 10 11 44 CONECT 11 12 12 45 CONECT 12 13 23 CONECT 13 14 14 46 CONECT 14 15 47 CONECT 15 16 16 22 CONECT 16 17 48 CONECT 17 18 19 19 CONECT 18 49 CONECT 19 20 50 CONECT 20 21 22 22 CONECT 21 51 CONECT 22 52 CONECT 23 24 24 53 CONECT 24 54 CONECT 25 26 27 55 CONECT 26 56 CONECT 27 28 29 57 CONECT 28 58 CONECT 29 30 59 CONECT 30 60 CONECT 31 32 32 39 CONECT 32 33 61 CONECT 33 34 35 35 CONECT 34 62 CONECT 35 36 37 CONECT 36 63 CONECT 37 38 39 39 CONECT 38 64 CONECT 39 65 END