COMPND HMDB0251228 HETATM 1 O1 UNL 1 8.950 -2.698 -1.664 1.00 0.00 O HETATM 2 C1 UNL 1 8.965 -1.846 -0.568 1.00 0.00 C HETATM 3 C2 UNL 1 9.730 -2.135 0.541 1.00 0.00 C HETATM 4 C3 UNL 1 9.750 -1.295 1.633 1.00 0.00 C HETATM 5 O2 UNL 1 10.545 -1.641 2.727 1.00 0.00 O HETATM 6 C4 UNL 1 8.992 -0.144 1.619 1.00 0.00 C HETATM 7 C5 UNL 1 8.211 0.182 0.528 1.00 0.00 C HETATM 8 O3 UNL 1 7.440 1.361 0.522 1.00 0.00 O HETATM 9 C6 UNL 1 6.684 1.615 -0.615 1.00 0.00 C HETATM 10 C7 UNL 1 7.195 2.344 -1.683 1.00 0.00 C HETATM 11 O4 UNL 1 8.477 2.839 -1.643 1.00 0.00 O HETATM 12 C8 UNL 1 6.381 2.559 -2.787 1.00 0.00 C HETATM 13 C9 UNL 1 5.097 2.055 -2.811 1.00 0.00 C HETATM 14 O5 UNL 1 4.310 2.288 -3.931 1.00 0.00 O HETATM 15 C10 UNL 1 4.568 1.323 -1.753 1.00 0.00 C HETATM 16 C11 UNL 1 5.399 1.116 -0.650 1.00 0.00 C HETATM 17 O6 UNL 1 4.923 0.393 0.434 1.00 0.00 O HETATM 18 C12 UNL 1 3.631 -0.130 0.443 1.00 0.00 C HETATM 19 C13 UNL 1 3.137 -0.851 1.507 1.00 0.00 C HETATM 20 O7 UNL 1 3.915 -1.088 2.627 1.00 0.00 O HETATM 21 C14 UNL 1 1.845 -1.360 1.489 1.00 0.00 C HETATM 22 C15 UNL 1 1.013 -1.156 0.391 1.00 0.00 C HETATM 23 O8 UNL 1 -0.271 -1.657 0.361 1.00 0.00 O HETATM 24 C16 UNL 1 -1.414 -1.044 0.788 1.00 0.00 C HETATM 25 C17 UNL 1 -2.156 -0.273 -0.077 1.00 0.00 C HETATM 26 O9 UNL 1 -1.757 -0.101 -1.405 1.00 0.00 O HETATM 27 C18 UNL 1 -3.323 0.352 0.365 1.00 0.00 C HETATM 28 C19 UNL 1 -3.778 0.228 1.658 1.00 0.00 C HETATM 29 O10 UNL 1 -4.937 0.839 2.123 1.00 0.00 O HETATM 30 C20 UNL 1 -5.646 1.601 1.201 1.00 0.00 C HETATM 31 C21 UNL 1 -5.377 2.942 1.042 1.00 0.00 C HETATM 32 O11 UNL 1 -4.378 3.482 1.837 1.00 0.00 O HETATM 33 C22 UNL 1 -6.092 3.655 0.129 1.00 0.00 C HETATM 34 C23 UNL 1 -7.071 3.063 -0.631 1.00 0.00 C HETATM 35 O12 UNL 1 -7.799 3.807 -1.566 1.00 0.00 O HETATM 36 C24 UNL 1 -7.346 1.725 -0.478 1.00 0.00 C HETATM 37 C25 UNL 1 -6.634 0.994 0.438 1.00 0.00 C HETATM 38 O13 UNL 1 -6.857 -0.358 0.645 1.00 0.00 O HETATM 39 C26 UNL 1 -7.840 -0.993 -0.104 1.00 0.00 C HETATM 40 C27 UNL 1 -8.042 -2.326 0.118 1.00 0.00 C HETATM 41 O14 UNL 1 -7.275 -3.008 1.071 1.00 0.00 O HETATM 42 C28 UNL 1 -9.008 -3.001 -0.603 1.00 0.00 C HETATM 43 C29 UNL 1 -9.752 -2.303 -1.539 1.00 0.00 C HETATM 44 O15 UNL 1 -10.719 -3.027 -2.246 1.00 0.00 O HETATM 45 C30 UNL 1 -9.531 -0.959 -1.747 1.00 0.00 C HETATM 46 C31 UNL 1 -8.562 -0.254 -1.032 1.00 0.00 C HETATM 47 O16 UNL 1 -8.344 1.099 -1.245 1.00 0.00 O HETATM 48 C32 UNL 1 -3.045 -0.543 2.534 1.00 0.00 C HETATM 49 C33 UNL 1 -1.884 -1.158 2.079 1.00 0.00 C HETATM 50 O17 UNL 1 -1.150 -1.933 2.965 1.00 0.00 O HETATM 51 C34 UNL 1 1.540 -0.432 -0.653 1.00 0.00 C HETATM 52 C35 UNL 1 2.831 0.089 -0.659 1.00 0.00 C HETATM 53 O18 UNL 1 3.297 0.814 -1.755 1.00 0.00 O HETATM 54 C36 UNL 1 8.221 -0.687 -0.543 1.00 0.00 C HETATM 55 H1 UNL 1 8.275 -3.471 -1.748 1.00 0.00 H HETATM 56 H2 UNL 1 10.307 -3.046 0.508 1.00 0.00 H HETATM 57 H3 UNL 1 11.093 -2.478 2.732 1.00 0.00 H HETATM 58 H4 UNL 1 9.025 0.503 2.494 1.00 0.00 H HETATM 59 H5 UNL 1 9.046 2.672 -0.838 1.00 0.00 H HETATM 60 H6 UNL 1 6.792 3.128 -3.611 1.00 0.00 H HETATM 61 H7 UNL 1 3.371 1.961 -4.033 1.00 0.00 H HETATM 62 H8 UNL 1 4.862 -0.724 2.660 1.00 0.00 H HETATM 63 H9 UNL 1 1.488 -1.928 2.344 1.00 0.00 H HETATM 64 H10 UNL 1 -2.309 0.467 -2.027 1.00 0.00 H HETATM 65 H11 UNL 1 -3.907 0.960 -0.315 1.00 0.00 H HETATM 66 H12 UNL 1 -4.100 4.453 1.801 1.00 0.00 H HETATM 67 H13 UNL 1 -5.873 4.719 0.006 1.00 0.00 H HETATM 68 H14 UNL 1 -8.515 3.419 -2.136 1.00 0.00 H HETATM 69 H15 UNL 1 -7.438 -3.995 1.222 1.00 0.00 H HETATM 70 H16 UNL 1 -9.178 -4.067 -0.433 1.00 0.00 H HETATM 71 H17 UNL 1 -11.647 -3.064 -1.841 1.00 0.00 H HETATM 72 H18 UNL 1 -10.124 -0.443 -2.480 1.00 0.00 H HETATM 73 H19 UNL 1 -3.371 -0.670 3.578 1.00 0.00 H HETATM 74 H20 UNL 1 -1.415 -2.074 3.926 1.00 0.00 H HETATM 75 H21 UNL 1 0.945 -0.238 -1.544 1.00 0.00 H HETATM 76 H22 UNL 1 7.617 -0.450 -1.408 1.00 0.00 H CONECT 1 2 55 CONECT 2 3 3 54 CONECT 3 4 56 CONECT 4 5 6 6 CONECT 5 57 CONECT 6 7 58 CONECT 7 8 54 54 CONECT 8 9 CONECT 9 10 10 16 CONECT 10 11 12 CONECT 11 59 CONECT 12 13 13 60 CONECT 13 14 15 CONECT 14 61 CONECT 15 16 16 53 CONECT 16 17 CONECT 17 18 CONECT 18 19 19 52 CONECT 19 20 21 CONECT 20 62 CONECT 21 22 22 63 CONECT 22 23 51 CONECT 23 24 CONECT 24 25 25 49 CONECT 25 26 27 CONECT 26 64 CONECT 27 28 28 65 CONECT 28 29 48 CONECT 29 30 CONECT 30 31 31 37 CONECT 31 32 33 CONECT 32 66 CONECT 33 34 34 67 CONECT 34 35 36 CONECT 35 68 CONECT 36 37 37 47 CONECT 37 38 CONECT 38 39 CONECT 39 40 40 46 CONECT 40 41 42 CONECT 41 69 CONECT 42 43 43 70 CONECT 43 44 45 CONECT 44 71 CONECT 45 46 46 72 CONECT 46 47 CONECT 48 49 49 73 CONECT 49 50 CONECT 50 74 CONECT 51 52 52 75 CONECT 52 53 CONECT 54 76 END