COMPND HMDB0036637 HETATM 1 C1 UNL 1 -3.148 2.042 -3.795 1.00 0.00 C HETATM 2 C2 UNL 1 -3.228 1.796 -2.347 1.00 0.00 C HETATM 3 C3 UNL 1 -3.850 0.425 -2.015 1.00 0.00 C HETATM 4 C4 UNL 1 -3.345 0.122 -0.596 1.00 0.00 C HETATM 5 C5 UNL 1 -3.519 1.311 0.224 1.00 0.00 C HETATM 6 C6 UNL 1 -3.355 1.259 1.623 1.00 0.00 C HETATM 7 C7 UNL 1 -3.563 2.304 2.463 1.00 0.00 C HETATM 8 C8 UNL 1 -3.961 3.520 1.983 1.00 0.00 C HETATM 9 O1 UNL 1 -4.176 4.587 2.829 1.00 0.00 O HETATM 10 C9 UNL 1 -4.136 3.634 0.625 1.00 0.00 C HETATM 11 C10 UNL 1 -3.919 2.552 -0.239 1.00 0.00 C HETATM 12 O2 UNL 1 -4.096 2.689 -1.630 1.00 0.00 O HETATM 13 C11 UNL 1 -1.948 -0.417 -0.787 1.00 0.00 C HETATM 14 O3 UNL 1 -2.119 -1.604 -1.703 1.00 0.00 O HETATM 15 C12 UNL 1 -1.431 -1.571 -0.373 1.00 0.00 C HETATM 16 C13 UNL 1 -1.991 -2.765 0.320 1.00 0.00 C HETATM 17 C14 UNL 1 -2.701 -2.787 1.467 1.00 0.00 C HETATM 18 C15 UNL 1 -3.202 -3.964 2.041 1.00 0.00 C HETATM 19 C16 UNL 1 -2.958 -5.155 1.403 1.00 0.00 C HETATM 20 O4 UNL 1 -3.448 -6.356 1.953 1.00 0.00 O HETATM 21 C17 UNL 1 -2.239 -5.174 0.233 1.00 0.00 C HETATM 22 C18 UNL 1 -1.752 -3.992 -0.317 1.00 0.00 C HETATM 23 O5 UNL 1 -1.032 -4.072 -1.497 1.00 0.00 O HETATM 24 O6 UNL 1 -0.027 -1.675 -0.438 1.00 0.00 O HETATM 25 C19 UNL 1 0.755 -0.560 -0.645 1.00 0.00 C HETATM 26 C20 UNL 1 2.095 -0.657 -0.227 1.00 0.00 C HETATM 27 C21 UNL 1 2.938 0.403 -0.404 1.00 0.00 C HETATM 28 C22 UNL 1 4.329 0.310 0.028 1.00 0.00 C HETATM 29 C23 UNL 1 4.881 -0.800 0.621 1.00 0.00 C HETATM 30 C24 UNL 1 6.197 -0.527 0.887 1.00 0.00 C HETATM 31 C25 UNL 1 7.208 -1.266 1.465 1.00 0.00 C HETATM 32 C26 UNL 1 8.439 -0.657 1.575 1.00 0.00 C HETATM 33 C27 UNL 1 8.647 0.623 1.131 1.00 0.00 C HETATM 34 O7 UNL 1 9.937 1.155 1.289 1.00 0.00 O HETATM 35 C28 UNL 1 7.635 1.350 0.558 1.00 0.00 C HETATM 36 C29 UNL 1 6.389 0.770 0.432 1.00 0.00 C HETATM 37 O8 UNL 1 5.269 1.233 -0.068 1.00 0.00 O HETATM 38 C30 UNL 1 2.426 1.538 -0.995 1.00 0.00 C HETATM 39 C31 UNL 1 1.104 1.661 -1.418 1.00 0.00 C HETATM 40 O9 UNL 1 0.702 2.851 -2.008 1.00 0.00 O HETATM 41 C32 UNL 1 0.253 0.591 -1.237 1.00 0.00 C HETATM 42 C33 UNL 1 -1.150 0.574 -1.620 1.00 0.00 C HETATM 43 C34 UNL 1 -1.877 1.866 -1.636 1.00 0.00 C HETATM 44 O10 UNL 1 -1.527 2.910 -1.164 1.00 0.00 O HETATM 45 H1 UNL 1 -2.083 2.016 -4.119 1.00 0.00 H HETATM 46 H2 UNL 1 -3.654 2.973 -4.131 1.00 0.00 H HETATM 47 H3 UNL 1 -3.680 1.211 -4.338 1.00 0.00 H HETATM 48 H4 UNL 1 -3.483 -0.310 -2.743 1.00 0.00 H HETATM 49 H5 UNL 1 -4.955 0.496 -1.967 1.00 0.00 H HETATM 50 H6 UNL 1 -3.987 -0.740 -0.226 1.00 0.00 H HETATM 51 H7 UNL 1 -3.034 0.331 2.067 1.00 0.00 H HETATM 52 H8 UNL 1 -3.419 2.200 3.536 1.00 0.00 H HETATM 53 H9 UNL 1 -3.437 5.238 3.072 1.00 0.00 H HETATM 54 H10 UNL 1 -4.450 4.573 0.191 1.00 0.00 H HETATM 55 H11 UNL 1 -2.895 -1.883 1.976 1.00 0.00 H HETATM 56 H12 UNL 1 -3.765 -3.936 2.961 1.00 0.00 H HETATM 57 H13 UNL 1 -4.371 -6.697 1.692 1.00 0.00 H HETATM 58 H14 UNL 1 -2.062 -6.125 -0.248 1.00 0.00 H HETATM 59 H15 UNL 1 -0.620 -3.303 -1.990 1.00 0.00 H HETATM 60 H16 UNL 1 2.477 -1.562 0.237 1.00 0.00 H HETATM 61 H17 UNL 1 4.419 -1.752 0.864 1.00 0.00 H HETATM 62 H18 UNL 1 7.022 -2.288 1.814 1.00 0.00 H HETATM 63 H19 UNL 1 9.239 -1.223 2.025 1.00 0.00 H HETATM 64 H20 UNL 1 10.102 2.092 0.967 1.00 0.00 H HETATM 65 H21 UNL 1 7.799 2.366 0.205 1.00 0.00 H HETATM 66 H22 UNL 1 3.100 2.370 -1.132 1.00 0.00 H HETATM 67 H23 UNL 1 1.364 3.595 -2.114 1.00 0.00 H HETATM 68 H24 UNL 1 -1.135 0.283 -2.724 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 15 42 CONECT 14 15 CONECT 15 16 24 CONECT 16 17 17 22 CONECT 17 18 55 CONECT 18 19 19 56 CONECT 19 20 21 CONECT 20 57 CONECT 21 22 22 58 CONECT 22 23 CONECT 23 59 CONECT 24 25 CONECT 25 26 26 41 CONECT 26 27 60 CONECT 27 28 38 38 CONECT 28 29 29 37 CONECT 29 30 61 CONECT 30 31 31 36 CONECT 31 32 62 CONECT 32 33 33 63 CONECT 33 34 35 CONECT 34 64 CONECT 35 36 36 65 CONECT 36 37 CONECT 38 39 66 CONECT 39 40 41 41 CONECT 40 67 CONECT 41 42 CONECT 42 43 68 CONECT 43 44 44 END