COMPND HMDB0041232 HETATM 1 C1 UNL 1 9.168 -3.563 3.136 1.00 0.00 C HETATM 2 O1 UNL 1 9.373 -3.141 1.821 1.00 0.00 O HETATM 3 C2 UNL 1 8.468 -2.436 1.056 1.00 0.00 C HETATM 4 C3 UNL 1 7.223 -2.100 1.570 1.00 0.00 C HETATM 5 C4 UNL 1 6.299 -1.387 0.805 1.00 0.00 C HETATM 6 C5 UNL 1 6.589 -0.995 -0.478 1.00 0.00 C HETATM 7 C6 UNL 1 5.562 -0.271 -1.238 1.00 0.00 C HETATM 8 C7 UNL 1 5.809 0.230 -2.493 1.00 0.00 C HETATM 9 C8 UNL 1 4.839 0.925 -3.231 1.00 0.00 C HETATM 10 O2 UNL 1 5.098 1.365 -4.363 1.00 0.00 O HETATM 11 C9 UNL 1 3.605 1.089 -2.642 1.00 0.00 C HETATM 12 C10 UNL 1 2.573 1.740 -3.250 1.00 0.00 C HETATM 13 O3 UNL 1 2.684 2.286 -4.489 1.00 0.00 O HETATM 14 C11 UNL 1 1.335 1.864 -2.581 1.00 0.00 C HETATM 15 C12 UNL 1 1.088 1.365 -1.337 1.00 0.00 C HETATM 16 O4 UNL 1 -0.093 1.449 -0.635 1.00 0.00 O HETATM 17 C13 UNL 1 -1.242 2.077 -1.097 1.00 0.00 C HETATM 18 O5 UNL 1 -1.714 3.054 -0.206 1.00 0.00 O HETATM 19 C14 UNL 1 -3.058 3.293 -0.331 1.00 0.00 C HETATM 20 C15 UNL 1 -3.326 4.699 0.206 1.00 0.00 C HETATM 21 O6 UNL 1 -2.563 5.567 -0.582 1.00 0.00 O HETATM 22 C16 UNL 1 -3.576 3.199 -1.752 1.00 0.00 C HETATM 23 O7 UNL 1 -4.943 3.480 -1.692 1.00 0.00 O HETATM 24 C17 UNL 1 -3.391 1.803 -2.243 1.00 0.00 C HETATM 25 O8 UNL 1 -4.615 1.128 -2.212 1.00 0.00 O HETATM 26 C18 UNL 1 -2.347 1.081 -1.427 1.00 0.00 C HETATM 27 O9 UNL 1 -2.887 0.477 -0.300 1.00 0.00 O HETATM 28 C19 UNL 1 -2.672 -0.882 -0.375 1.00 0.00 C HETATM 29 O10 UNL 1 -3.882 -1.568 -0.496 1.00 0.00 O HETATM 30 C20 UNL 1 -4.633 -1.387 0.675 1.00 0.00 C HETATM 31 C21 UNL 1 -6.001 -1.939 0.391 1.00 0.00 C HETATM 32 O11 UNL 1 -6.819 -1.797 1.511 1.00 0.00 O HETATM 33 C22 UNL 1 -7.138 -0.577 2.058 1.00 0.00 C HETATM 34 C23 UNL 1 -8.024 -0.533 3.265 1.00 0.00 C HETATM 35 O12 UNL 1 -6.696 0.467 1.553 1.00 0.00 O HETATM 36 C24 UNL 1 -3.945 -2.212 1.747 1.00 0.00 C HETATM 37 O13 UNL 1 -4.781 -2.288 2.847 1.00 0.00 O HETATM 38 C25 UNL 1 -2.623 -1.545 2.051 1.00 0.00 C HETATM 39 O14 UNL 1 -1.900 -2.411 2.894 1.00 0.00 O HETATM 40 C26 UNL 1 -1.852 -1.412 0.778 1.00 0.00 C HETATM 41 O15 UNL 1 -1.432 -2.698 0.400 1.00 0.00 O HETATM 42 C27 UNL 1 2.170 0.703 -0.741 1.00 0.00 C HETATM 43 O16 UNL 1 1.990 0.175 0.517 1.00 0.00 O HETATM 44 C28 UNL 1 3.396 0.570 -1.382 1.00 0.00 C HETATM 45 O17 UNL 1 4.369 -0.066 -0.767 1.00 0.00 O HETATM 46 C29 UNL 1 7.819 -1.324 -0.993 1.00 0.00 C HETATM 47 C30 UNL 1 8.748 -2.037 -0.233 1.00 0.00 C HETATM 48 O18 UNL 1 9.988 -2.371 -0.745 1.00 0.00 O HETATM 49 H1 UNL 1 10.140 -3.670 3.699 1.00 0.00 H HETATM 50 H2 UNL 1 8.648 -2.722 3.673 1.00 0.00 H HETATM 51 H3 UNL 1 8.536 -4.446 3.256 1.00 0.00 H HETATM 52 H4 UNL 1 6.962 -2.391 2.576 1.00 0.00 H HETATM 53 H5 UNL 1 5.320 -1.124 1.213 1.00 0.00 H HETATM 54 H6 UNL 1 6.778 0.107 -2.968 1.00 0.00 H HETATM 55 H7 UNL 1 3.413 2.317 -5.101 1.00 0.00 H HETATM 56 H8 UNL 1 0.540 2.391 -3.109 1.00 0.00 H HETATM 57 H9 UNL 1 -1.029 2.617 -2.032 1.00 0.00 H HETATM 58 H10 UNL 1 -3.614 2.607 0.327 1.00 0.00 H HETATM 59 H11 UNL 1 -4.399 4.943 0.065 1.00 0.00 H HETATM 60 H12 UNL 1 -3.019 4.713 1.253 1.00 0.00 H HETATM 61 H13 UNL 1 -1.702 5.804 -0.124 1.00 0.00 H HETATM 62 H14 UNL 1 -3.045 3.894 -2.424 1.00 0.00 H HETATM 63 H15 UNL 1 -5.342 3.116 -0.863 1.00 0.00 H HETATM 64 H16 UNL 1 -3.012 1.830 -3.301 1.00 0.00 H HETATM 65 H17 UNL 1 -5.271 1.713 -2.669 1.00 0.00 H HETATM 66 H18 UNL 1 -1.877 0.319 -2.119 1.00 0.00 H HETATM 67 H19 UNL 1 -2.116 -1.105 -1.304 1.00 0.00 H HETATM 68 H20 UNL 1 -4.617 -0.345 1.003 1.00 0.00 H HETATM 69 H21 UNL 1 -5.876 -3.037 0.222 1.00 0.00 H HETATM 70 H22 UNL 1 -6.436 -1.503 -0.532 1.00 0.00 H HETATM 71 H23 UNL 1 -8.061 0.499 3.663 1.00 0.00 H HETATM 72 H24 UNL 1 -7.560 -1.165 4.052 1.00 0.00 H HETATM 73 H25 UNL 1 -9.051 -0.891 3.023 1.00 0.00 H HETATM 74 H26 UNL 1 -3.770 -3.250 1.361 1.00 0.00 H HETATM 75 H27 UNL 1 -5.354 -3.100 2.784 1.00 0.00 H HETATM 76 H28 UNL 1 -2.828 -0.581 2.550 1.00 0.00 H HETATM 77 H29 UNL 1 -2.335 -3.302 2.961 1.00 0.00 H HETATM 78 H30 UNL 1 -0.965 -0.736 0.879 1.00 0.00 H HETATM 79 H31 UNL 1 -2.176 -3.157 -0.103 1.00 0.00 H HETATM 80 H32 UNL 1 2.675 -0.314 1.045 1.00 0.00 H HETATM 81 H33 UNL 1 8.085 -1.036 -1.998 1.00 0.00 H HETATM 82 H34 UNL 1 10.316 -2.138 -1.674 1.00 0.00 H CONECT 1 2 49 50 51 CONECT 2 3 CONECT 3 4 4 47 CONECT 4 5 52 CONECT 5 6 6 53 CONECT 6 7 46 CONECT 7 8 8 45 CONECT 8 9 54 CONECT 9 10 10 11 CONECT 11 12 12 44 CONECT 12 13 14 CONECT 13 55 CONECT 14 15 15 56 CONECT 15 16 42 CONECT 16 17 CONECT 17 18 26 57 CONECT 18 19 CONECT 19 20 22 58 CONECT 20 21 59 60 CONECT 21 61 CONECT 22 23 24 62 CONECT 23 63 CONECT 24 25 26 64 CONECT 25 65 CONECT 26 27 66 CONECT 27 28 CONECT 28 29 40 67 CONECT 29 30 CONECT 30 31 36 68 CONECT 31 32 69 70 CONECT 32 33 CONECT 33 34 35 35 CONECT 34 71 72 73 CONECT 36 37 38 74 CONECT 37 75 CONECT 38 39 40 76 CONECT 39 77 CONECT 40 41 78 CONECT 41 79 CONECT 42 43 44 44 CONECT 43 80 CONECT 44 45 CONECT 46 47 47 81 CONECT 47 48 CONECT 48 82 END