COMPND HMDB0030569 HETATM 1 C1 UNL 1 -1.358 -2.707 2.296 1.00 0.00 C HETATM 2 O1 UNL 1 -1.726 -1.711 1.390 1.00 0.00 O HETATM 3 C2 UNL 1 -0.797 -0.961 0.712 1.00 0.00 C HETATM 4 C3 UNL 1 0.557 -1.126 0.868 1.00 0.00 C HETATM 5 C4 UNL 1 1.465 -0.343 0.159 1.00 0.00 C HETATM 6 O2 UNL 1 2.759 -0.504 0.312 1.00 0.00 O HETATM 7 C5 UNL 1 3.662 0.220 -0.344 1.00 0.00 C HETATM 8 C6 UNL 1 5.077 -0.026 -0.115 1.00 0.00 C HETATM 9 C7 UNL 1 5.458 -1.025 0.784 1.00 0.00 C HETATM 10 C8 UNL 1 6.799 -1.295 1.025 1.00 0.00 C HETATM 11 C9 UNL 1 7.787 -0.583 0.383 1.00 0.00 C HETATM 12 O3 UNL 1 9.132 -0.812 0.589 1.00 0.00 O HETATM 13 C10 UNL 1 7.416 0.413 -0.514 1.00 0.00 C HETATM 14 O4 UNL 1 8.357 1.165 -1.192 1.00 0.00 O HETATM 15 C11 UNL 1 6.087 0.643 -0.719 1.00 0.00 C HETATM 16 C12 UNL 1 3.225 1.181 -1.222 1.00 0.00 C HETATM 17 C13 UNL 1 1.857 1.397 -1.423 1.00 0.00 C HETATM 18 O5 UNL 1 1.463 2.274 -2.224 1.00 0.00 O HETATM 19 C14 UNL 1 0.996 0.603 -0.704 1.00 0.00 C HETATM 20 C15 UNL 1 -0.396 0.770 -0.861 1.00 0.00 C HETATM 21 O6 UNL 1 -0.759 1.698 -1.716 1.00 0.00 O HETATM 22 C16 UNL 1 -1.303 0.016 -0.178 1.00 0.00 C HETATM 23 C17 UNL 1 -2.758 0.059 -0.301 1.00 0.00 C HETATM 24 O7 UNL 1 -3.317 -0.441 0.866 1.00 0.00 O HETATM 25 C18 UNL 1 -4.680 -0.664 0.739 1.00 0.00 C HETATM 26 C19 UNL 1 -5.093 -1.486 -0.429 1.00 0.00 C HETATM 27 O8 UNL 1 -6.504 -1.608 -0.349 1.00 0.00 O HETATM 28 C20 UNL 1 -5.300 0.717 0.738 1.00 0.00 C HETATM 29 O9 UNL 1 -5.268 1.176 2.070 1.00 0.00 O HETATM 30 C21 UNL 1 -4.682 1.684 -0.195 1.00 0.00 C HETATM 31 O10 UNL 1 -4.554 2.907 0.511 1.00 0.00 O HETATM 32 C22 UNL 1 -3.362 1.288 -0.815 1.00 0.00 C HETATM 33 O11 UNL 1 -3.560 1.243 -2.197 1.00 0.00 O HETATM 34 H1 UNL 1 -2.101 -3.574 2.264 1.00 0.00 H HETATM 35 H2 UNL 1 -0.393 -3.190 2.061 1.00 0.00 H HETATM 36 H3 UNL 1 -1.335 -2.347 3.360 1.00 0.00 H HETATM 37 H4 UNL 1 0.976 -1.871 1.559 1.00 0.00 H HETATM 38 H5 UNL 1 4.740 -1.620 1.323 1.00 0.00 H HETATM 39 H6 UNL 1 7.096 -2.072 1.725 1.00 0.00 H HETATM 40 H7 UNL 1 9.874 -0.316 0.140 1.00 0.00 H HETATM 41 H8 UNL 1 8.109 1.891 -1.849 1.00 0.00 H HETATM 42 H9 UNL 1 5.830 1.444 -1.430 1.00 0.00 H HETATM 43 H10 UNL 1 3.912 1.784 -1.773 1.00 0.00 H HETATM 44 H11 UNL 1 -1.131 2.321 -2.272 1.00 0.00 H HETATM 45 H12 UNL 1 -3.006 -0.781 -1.066 1.00 0.00 H HETATM 46 H13 UNL 1 -5.017 -1.183 1.656 1.00 0.00 H HETATM 47 H14 UNL 1 -4.930 -1.017 -1.424 1.00 0.00 H HETATM 48 H15 UNL 1 -4.689 -2.499 -0.342 1.00 0.00 H HETATM 49 H16 UNL 1 -6.949 -0.929 -0.944 1.00 0.00 H HETATM 50 H17 UNL 1 -6.399 0.549 0.540 1.00 0.00 H HETATM 51 H18 UNL 1 -5.461 0.355 2.633 1.00 0.00 H HETATM 52 H19 UNL 1 -5.435 1.905 -0.991 1.00 0.00 H HETATM 53 H20 UNL 1 -3.946 2.718 1.267 1.00 0.00 H HETATM 54 H21 UNL 1 -2.687 2.143 -0.614 1.00 0.00 H HETATM 55 H22 UNL 1 -3.734 2.129 -2.549 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 CONECT 3 4 4 22 CONECT 4 5 37 CONECT 5 6 19 19 CONECT 6 7 CONECT 7 8 16 16 CONECT 8 9 9 15 CONECT 9 10 38 CONECT 10 11 11 39 CONECT 11 12 13 CONECT 12 40 CONECT 13 14 15 15 CONECT 14 41 CONECT 15 42 CONECT 16 17 43 CONECT 17 18 18 19 CONECT 19 20 CONECT 20 21 22 22 CONECT 21 44 CONECT 22 23 CONECT 23 24 32 45 CONECT 24 25 CONECT 25 26 28 46 CONECT 26 27 47 48 CONECT 27 49 CONECT 28 29 30 50 CONECT 29 51 CONECT 30 31 32 52 CONECT 31 53 CONECT 32 33 54 CONECT 33 55 END