COMPND HMDB0038817 HETATM 1 C1 UNL 1 -5.404 -4.428 0.550 1.00 0.00 C HETATM 2 C2 UNL 1 -5.582 -2.986 0.885 1.00 0.00 C HETATM 3 O1 UNL 1 -6.715 -2.482 0.708 1.00 0.00 O HETATM 4 O2 UNL 1 -4.565 -2.185 1.378 1.00 0.00 O HETATM 5 C3 UNL 1 -4.792 -0.818 1.680 1.00 0.00 C HETATM 6 C4 UNL 1 -3.545 -0.149 2.199 1.00 0.00 C HETATM 7 O3 UNL 1 -2.568 -0.237 1.205 1.00 0.00 O HETATM 8 C5 UNL 1 -1.725 0.894 1.279 1.00 0.00 C HETATM 9 C6 UNL 1 -0.388 0.463 0.837 1.00 0.00 C HETATM 10 C7 UNL 1 -0.018 -0.884 0.997 1.00 0.00 C HETATM 11 O4 UNL 1 -1.005 -1.718 1.571 1.00 0.00 O HETATM 12 C8 UNL 1 1.176 -1.393 0.647 1.00 0.00 C HETATM 13 C9 UNL 1 2.134 -0.575 0.088 1.00 0.00 C HETATM 14 O5 UNL 1 3.285 -1.113 -0.245 1.00 0.00 O HETATM 15 C10 UNL 1 4.275 -0.421 -0.793 1.00 0.00 C HETATM 16 C11 UNL 1 5.530 -1.073 -1.143 1.00 0.00 C HETATM 17 C12 UNL 1 5.679 -2.408 -0.840 1.00 0.00 C HETATM 18 C13 UNL 1 6.819 -3.108 -1.159 1.00 0.00 C HETATM 19 C14 UNL 1 7.814 -2.407 -1.801 1.00 0.00 C HETATM 20 O6 UNL 1 8.979 -3.107 -2.131 1.00 0.00 O HETATM 21 C15 UNL 1 7.696 -1.074 -2.117 1.00 0.00 C HETATM 22 O7 UNL 1 8.729 -0.388 -2.772 1.00 0.00 O HETATM 23 C16 UNL 1 6.540 -0.409 -1.781 1.00 0.00 C HETATM 24 C17 UNL 1 4.020 0.907 -0.991 1.00 0.00 C HETATM 25 C18 UNL 1 2.825 1.531 -0.660 1.00 0.00 C HETATM 26 O8 UNL 1 2.644 2.745 -0.861 1.00 0.00 O HETATM 27 C19 UNL 1 1.832 0.775 -0.097 1.00 0.00 C HETATM 28 C20 UNL 1 0.581 1.289 0.276 1.00 0.00 C HETATM 29 O9 UNL 1 0.315 2.606 0.095 1.00 0.00 O HETATM 30 C21 UNL 1 -2.348 2.085 0.734 1.00 0.00 C HETATM 31 O10 UNL 1 -2.422 2.197 -0.679 1.00 0.00 O HETATM 32 C22 UNL 1 -2.234 3.335 -1.418 1.00 0.00 C HETATM 33 C23 UNL 1 -2.315 3.369 -2.901 1.00 0.00 C HETATM 34 O11 UNL 1 -1.977 4.405 -0.758 1.00 0.00 O HETATM 35 C24 UNL 1 -3.819 2.092 1.244 1.00 0.00 C HETATM 36 O12 UNL 1 -4.253 3.382 1.478 1.00 0.00 O HETATM 37 C25 UNL 1 -3.885 1.298 2.500 1.00 0.00 C HETATM 38 O13 UNL 1 -5.202 1.394 2.997 1.00 0.00 O HETATM 39 H1 UNL 1 -5.709 -5.081 1.377 1.00 0.00 H HETATM 40 H2 UNL 1 -4.289 -4.579 0.452 1.00 0.00 H HETATM 41 H3 UNL 1 -5.895 -4.679 -0.390 1.00 0.00 H HETATM 42 H4 UNL 1 -5.673 -0.683 2.348 1.00 0.00 H HETATM 43 H5 UNL 1 -5.056 -0.337 0.716 1.00 0.00 H HETATM 44 H6 UNL 1 -3.267 -0.642 3.146 1.00 0.00 H HETATM 45 H7 UNL 1 -1.590 1.011 2.427 1.00 0.00 H HETATM 46 H8 UNL 1 -0.820 -2.694 1.721 1.00 0.00 H HETATM 47 H9 UNL 1 1.400 -2.440 0.796 1.00 0.00 H HETATM 48 H10 UNL 1 4.882 -2.969 -0.325 1.00 0.00 H HETATM 49 H11 UNL 1 6.875 -4.146 -0.895 1.00 0.00 H HETATM 50 H12 UNL 1 9.751 -2.690 -2.595 1.00 0.00 H HETATM 51 H13 UNL 1 8.633 0.581 -2.997 1.00 0.00 H HETATM 52 H14 UNL 1 6.453 0.664 -2.040 1.00 0.00 H HETATM 53 H15 UNL 1 4.774 1.547 -1.431 1.00 0.00 H HETATM 54 H16 UNL 1 0.702 3.400 -0.245 1.00 0.00 H HETATM 55 H17 UNL 1 -1.958 3.028 1.131 1.00 0.00 H HETATM 56 H18 UNL 1 -2.482 4.435 -3.222 1.00 0.00 H HETATM 57 H19 UNL 1 -1.329 3.072 -3.361 1.00 0.00 H HETATM 58 H20 UNL 1 -3.102 2.728 -3.284 1.00 0.00 H HETATM 59 H21 UNL 1 -4.449 1.572 0.472 1.00 0.00 H HETATM 60 H22 UNL 1 -5.149 3.478 1.029 1.00 0.00 H HETATM 61 H23 UNL 1 -3.232 1.753 3.260 1.00 0.00 H HETATM 62 H24 UNL 1 -5.579 2.269 2.726 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 42 43 CONECT 6 7 37 44 CONECT 7 8 CONECT 8 9 30 45 CONECT 9 10 10 28 CONECT 10 11 12 CONECT 11 46 CONECT 12 13 13 47 CONECT 13 14 27 CONECT 14 15 CONECT 15 16 24 24 CONECT 16 17 17 23 CONECT 17 18 48 CONECT 18 19 19 49 CONECT 19 20 21 CONECT 20 50 CONECT 21 22 23 23 CONECT 22 51 CONECT 23 52 CONECT 24 25 53 CONECT 25 26 26 27 CONECT 27 28 28 CONECT 28 29 CONECT 29 54 CONECT 30 31 35 55 CONECT 31 32 CONECT 32 33 34 34 CONECT 33 56 57 58 CONECT 35 36 37 59 CONECT 36 60 CONECT 37 38 61 CONECT 38 62 END