COMPND HMDB0260138 HETATM 1 C1 UNL 1 10.623 -0.050 -1.113 1.00 0.00 C HETATM 2 C2 UNL 1 9.214 0.395 -1.175 1.00 0.00 C HETATM 3 C3 UNL 1 8.293 -0.182 -2.035 1.00 0.00 C HETATM 4 C4 UNL 1 6.990 0.250 -2.074 1.00 0.00 C HETATM 5 C5 UNL 1 6.623 1.279 -1.231 1.00 0.00 C HETATM 6 S1 UNL 1 4.979 1.855 -1.265 1.00 0.00 S HETATM 7 O1 UNL 1 4.480 1.706 -2.696 1.00 0.00 O HETATM 8 O2 UNL 1 4.897 3.319 -0.912 1.00 0.00 O HETATM 9 N1 UNL 1 3.918 0.981 -0.256 1.00 0.00 N HETATM 10 C6 UNL 1 4.283 1.047 1.115 1.00 0.00 C HETATM 11 C7 UNL 1 3.205 1.665 1.973 1.00 0.00 C HETATM 12 N2 UNL 1 1.977 0.959 1.935 1.00 0.00 N HETATM 13 C8 UNL 1 1.159 0.791 0.820 1.00 0.00 C HETATM 14 O3 UNL 1 1.396 1.253 -0.304 1.00 0.00 O HETATM 15 C9 UNL 1 -0.095 0.004 0.954 1.00 0.00 C HETATM 16 C10 UNL 1 -0.990 -0.246 -0.061 1.00 0.00 C HETATM 17 C11 UNL 1 -1.984 -1.011 0.531 1.00 0.00 C HETATM 18 N3 UNL 1 -1.702 -1.211 1.838 1.00 0.00 N HETATM 19 N4 UNL 1 -0.571 -0.594 2.060 1.00 0.00 N HETATM 20 C12 UNL 1 -2.393 -1.922 2.883 1.00 0.00 C HETATM 21 C13 UNL 1 -3.349 -2.964 2.343 1.00 0.00 C HETATM 22 C14 UNL 1 -4.584 -2.376 1.750 1.00 0.00 C HETATM 23 N5 UNL 1 -4.357 -2.151 0.343 1.00 0.00 N HETATM 24 C15 UNL 1 -5.310 -2.518 -0.632 1.00 0.00 C HETATM 25 C16 UNL 1 -6.402 -1.616 -0.998 1.00 0.00 C HETATM 26 C17 UNL 1 -6.135 -0.269 -1.518 1.00 0.00 C HETATM 27 C18 UNL 1 -5.408 0.697 -0.664 1.00 0.00 C HETATM 28 C19 UNL 1 -6.118 2.055 -0.562 1.00 0.00 C HETATM 29 N6 UNL 1 -6.587 2.550 -1.811 1.00 0.00 N HETATM 30 C20 UNL 1 -7.222 1.598 -2.669 1.00 0.00 C HETATM 31 C21 UNL 1 -7.503 0.353 -1.849 1.00 0.00 C HETATM 32 C22 UNL 1 -3.172 -1.542 -0.171 1.00 0.00 C HETATM 33 O4 UNL 1 -3.113 -1.433 -1.429 1.00 0.00 O HETATM 34 C23 UNL 1 4.539 -0.303 1.700 1.00 0.00 C HETATM 35 O5 UNL 1 4.413 -1.299 0.967 1.00 0.00 O HETATM 36 O6 UNL 1 4.903 -0.390 3.019 1.00 0.00 O HETATM 37 C24 UNL 1 7.508 1.880 -0.361 1.00 0.00 C HETATM 38 C25 UNL 1 8.809 1.419 -0.348 1.00 0.00 C HETATM 39 H1 UNL 1 10.817 -0.592 -0.146 1.00 0.00 H HETATM 40 H2 UNL 1 11.257 0.873 -1.076 1.00 0.00 H HETATM 41 H3 UNL 1 10.817 -0.677 -1.987 1.00 0.00 H HETATM 42 H4 UNL 1 8.625 -1.000 -2.688 1.00 0.00 H HETATM 43 H5 UNL 1 6.263 -0.204 -2.750 1.00 0.00 H HETATM 44 H6 UNL 1 3.789 -0.015 -0.569 1.00 0.00 H HETATM 45 H7 UNL 1 5.213 1.671 1.170 1.00 0.00 H HETATM 46 H8 UNL 1 3.113 2.724 1.611 1.00 0.00 H HETATM 47 H9 UNL 1 3.593 1.783 3.034 1.00 0.00 H HETATM 48 H10 UNL 1 1.657 0.520 2.855 1.00 0.00 H HETATM 49 H11 UNL 1 -0.941 0.076 -1.099 1.00 0.00 H HETATM 50 H12 UNL 1 -2.931 -1.262 3.591 1.00 0.00 H HETATM 51 H13 UNL 1 -1.636 -2.482 3.472 1.00 0.00 H HETATM 52 H14 UNL 1 -3.666 -3.588 3.221 1.00 0.00 H HETATM 53 H15 UNL 1 -2.811 -3.664 1.670 1.00 0.00 H HETATM 54 H16 UNL 1 -5.509 -2.923 1.976 1.00 0.00 H HETATM 55 H17 UNL 1 -4.701 -1.347 2.204 1.00 0.00 H HETATM 56 H18 UNL 1 -4.757 -2.885 -1.531 1.00 0.00 H HETATM 57 H19 UNL 1 -5.803 -3.469 -0.244 1.00 0.00 H HETATM 58 H20 UNL 1 -6.990 -2.161 -1.808 1.00 0.00 H HETATM 59 H21 UNL 1 -7.172 -1.613 -0.158 1.00 0.00 H HETATM 60 H22 UNL 1 -5.625 -0.299 -2.529 1.00 0.00 H HETATM 61 H23 UNL 1 -5.254 0.359 0.383 1.00 0.00 H HETATM 62 H24 UNL 1 -4.406 0.941 -1.067 1.00 0.00 H HETATM 63 H25 UNL 1 -5.353 2.771 -0.162 1.00 0.00 H HETATM 64 H26 UNL 1 -6.968 2.022 0.147 1.00 0.00 H HETATM 65 H27 UNL 1 -5.976 3.234 -2.263 1.00 0.00 H HETATM 66 H28 UNL 1 -8.214 1.985 -2.995 1.00 0.00 H HETATM 67 H29 UNL 1 -6.581 1.306 -3.524 1.00 0.00 H HETATM 68 H30 UNL 1 -8.035 -0.387 -2.458 1.00 0.00 H HETATM 69 H31 UNL 1 -8.002 0.598 -0.890 1.00 0.00 H HETATM 70 H32 UNL 1 4.251 -0.860 3.655 1.00 0.00 H HETATM 71 H33 UNL 1 7.198 2.700 0.301 1.00 0.00 H HETATM 72 H34 UNL 1 9.522 1.886 0.336 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 3 38 CONECT 3 4 42 CONECT 4 5 5 43 CONECT 5 6 37 CONECT 6 7 7 8 8 CONECT 6 9 CONECT 9 10 44 CONECT 10 11 34 45 CONECT 11 12 46 47 CONECT 12 13 48 CONECT 13 14 14 15 CONECT 15 16 19 19 CONECT 16 17 17 49 CONECT 17 18 32 CONECT 18 19 20 CONECT 20 21 50 51 CONECT 21 22 52 53 CONECT 22 23 54 55 CONECT 23 24 32 CONECT 24 25 56 57 CONECT 25 26 58 59 CONECT 26 27 31 60 CONECT 27 28 61 62 CONECT 28 29 63 64 CONECT 29 30 65 CONECT 30 31 66 67 CONECT 31 68 69 CONECT 32 33 33 CONECT 34 35 35 36 CONECT 36 70 CONECT 37 38 38 71 CONECT 38 72 END