COMPND HMDB0041214 HETATM 1 C1 UNL 1 4.814 -0.196 -1.514 1.00 0.00 C HETATM 2 O1 UNL 1 4.724 0.272 -0.181 1.00 0.00 O HETATM 3 C2 UNL 1 3.947 -0.367 0.774 1.00 0.00 C HETATM 4 C3 UNL 1 4.538 -1.360 1.523 1.00 0.00 C HETATM 5 C4 UNL 1 3.755 -1.992 2.474 1.00 0.00 C HETATM 6 C5 UNL 1 2.431 -1.639 2.662 1.00 0.00 C HETATM 7 C6 UNL 1 1.831 -0.645 1.914 1.00 0.00 C HETATM 8 O2 UNL 1 0.580 -0.303 2.084 1.00 0.00 O HETATM 9 C7 UNL 1 -0.024 0.634 1.395 1.00 0.00 C HETATM 10 C8 UNL 1 0.683 1.309 0.432 1.00 0.00 C HETATM 11 C9 UNL 1 0.072 2.346 -0.349 1.00 0.00 C HETATM 12 C10 UNL 1 0.669 3.565 -0.577 1.00 0.00 C HETATM 13 C11 UNL 1 0.080 4.557 -1.323 1.00 0.00 C HETATM 14 C12 UNL 1 -1.157 4.360 -1.883 1.00 0.00 C HETATM 15 C13 UNL 1 -1.780 3.138 -1.668 1.00 0.00 C HETATM 16 C14 UNL 1 -1.195 2.134 -0.918 1.00 0.00 C HETATM 17 O3 UNL 1 -1.765 0.903 -0.672 1.00 0.00 O HETATM 18 C15 UNL 1 -3.009 0.480 -1.136 1.00 0.00 C HETATM 19 O4 UNL 1 -2.766 -0.646 -1.950 1.00 0.00 O HETATM 20 C16 UNL 1 -2.402 -1.688 -1.074 1.00 0.00 C HETATM 21 C17 UNL 1 -3.713 -2.351 -0.652 1.00 0.00 C HETATM 22 O5 UNL 1 -3.564 -2.917 0.628 1.00 0.00 O HETATM 23 C18 UNL 1 -4.708 -1.197 -0.514 1.00 0.00 C HETATM 24 O6 UNL 1 -5.763 -1.518 0.319 1.00 0.00 O HETATM 25 C19 UNL 1 -3.913 0.001 -0.014 1.00 0.00 C HETATM 26 O7 UNL 1 -4.843 1.009 0.252 1.00 0.00 O HETATM 27 C20 UNL 1 2.016 0.978 0.218 1.00 0.00 C HETATM 28 O8 UNL 1 2.707 1.564 -0.649 1.00 0.00 O HETATM 29 C21 UNL 1 2.624 -0.013 0.960 1.00 0.00 C HETATM 30 O9 UNL 1 4.587 -2.929 3.070 1.00 0.00 O HETATM 31 C22 UNL 1 5.738 -3.164 2.278 1.00 0.00 C HETATM 32 O10 UNL 1 5.817 -1.923 1.564 1.00 0.00 O HETATM 33 H1 UNL 1 4.976 0.617 -2.253 1.00 0.00 H HETATM 34 H2 UNL 1 3.873 -0.748 -1.729 1.00 0.00 H HETATM 35 H3 UNL 1 5.632 -0.942 -1.538 1.00 0.00 H HETATM 36 H4 UNL 1 1.820 -2.135 3.406 1.00 0.00 H HETATM 37 H5 UNL 1 -1.059 0.909 1.543 1.00 0.00 H HETATM 38 H6 UNL 1 1.660 3.692 -0.115 1.00 0.00 H HETATM 39 H7 UNL 1 0.575 5.497 -1.480 1.00 0.00 H HETATM 40 H8 UNL 1 -1.673 5.099 -2.479 1.00 0.00 H HETATM 41 H9 UNL 1 -2.759 2.988 -2.113 1.00 0.00 H HETATM 42 H10 UNL 1 -3.528 1.205 -1.759 1.00 0.00 H HETATM 43 H11 UNL 1 -1.712 -2.410 -1.550 1.00 0.00 H HETATM 44 H12 UNL 1 -1.883 -1.264 -0.195 1.00 0.00 H HETATM 45 H13 UNL 1 -4.068 -3.062 -1.401 1.00 0.00 H HETATM 46 H14 UNL 1 -4.423 -3.283 0.941 1.00 0.00 H HETATM 47 H15 UNL 1 -5.150 -0.955 -1.521 1.00 0.00 H HETATM 48 H16 UNL 1 -6.602 -1.047 0.063 1.00 0.00 H HETATM 49 H17 UNL 1 -3.357 -0.306 0.874 1.00 0.00 H HETATM 50 H18 UNL 1 -5.437 1.068 -0.551 1.00 0.00 H HETATM 51 H19 UNL 1 5.467 -3.948 1.533 1.00 0.00 H HETATM 52 H20 UNL 1 6.638 -3.380 2.850 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 CONECT 3 4 4 29 CONECT 4 5 32 CONECT 5 6 6 30 CONECT 6 7 36 CONECT 7 8 29 29 CONECT 8 9 CONECT 9 10 10 37 CONECT 10 11 27 CONECT 11 12 12 16 CONECT 12 13 38 CONECT 13 14 14 39 CONECT 14 15 40 CONECT 15 16 16 41 CONECT 16 17 CONECT 17 18 CONECT 18 19 25 42 CONECT 19 20 CONECT 20 21 43 44 CONECT 21 22 23 45 CONECT 22 46 CONECT 23 24 25 47 CONECT 24 48 CONECT 25 26 49 CONECT 26 50 CONECT 27 28 28 29 CONECT 30 31 CONECT 31 32 51 52 END