COMPND HMDB0060787 HETATM 1 C1 UNL 1 -8.399 4.311 0.788 1.00 0.00 C HETATM 2 O1 UNL 1 -7.056 3.901 0.602 1.00 0.00 O HETATM 3 C2 UNL 1 -6.032 4.811 0.511 1.00 0.00 C HETATM 4 C3 UNL 1 -6.282 6.171 0.601 1.00 0.00 C HETATM 5 C4 UNL 1 -5.279 7.102 0.514 1.00 0.00 C HETATM 6 C5 UNL 1 -3.998 6.622 0.331 1.00 0.00 C HETATM 7 C6 UNL 1 -3.715 5.280 0.238 1.00 0.00 C HETATM 8 C7 UNL 1 -4.735 4.341 0.327 1.00 0.00 C HETATM 9 C8 UNL 1 -4.457 2.912 0.227 1.00 0.00 C HETATM 10 O2 UNL 1 -5.405 2.096 0.313 1.00 0.00 O HETATM 11 C9 UNL 1 -3.084 2.425 0.028 1.00 0.00 C HETATM 12 C10 UNL 1 -2.837 1.048 -0.070 1.00 0.00 C HETATM 13 O3 UNL 1 -3.923 0.236 0.029 1.00 0.00 O HETATM 14 C11 UNL 1 -1.571 0.591 -0.258 1.00 0.00 C HETATM 15 C12 UNL 1 -0.532 1.539 -0.353 1.00 0.00 C HETATM 16 C13 UNL 1 -0.780 2.847 -0.257 1.00 0.00 C HETATM 17 O4 UNL 1 0.194 3.854 -0.337 1.00 0.00 O HETATM 18 C14 UNL 1 -2.079 3.345 -0.060 1.00 0.00 C HETATM 19 C15 UNL 1 -2.364 4.761 0.040 1.00 0.00 C HETATM 20 O5 UNL 1 -1.424 5.592 -0.043 1.00 0.00 O HETATM 21 C16 UNL 1 0.785 0.968 -0.611 1.00 0.00 C HETATM 22 C17 UNL 1 0.764 -0.058 -1.726 1.00 0.00 C HETATM 23 O6 UNL 1 0.700 0.701 -2.916 1.00 0.00 O HETATM 24 C18 UNL 1 2.044 -0.776 -1.725 1.00 0.00 C HETATM 25 O7 UNL 1 2.832 -0.631 -2.630 1.00 0.00 O HETATM 26 C19 UNL 1 2.383 -1.689 -0.614 1.00 0.00 C HETATM 27 O8 UNL 1 3.629 -2.324 -0.791 1.00 0.00 O HETATM 28 C20 UNL 1 4.833 -1.642 -0.901 1.00 0.00 C HETATM 29 O9 UNL 1 4.784 -0.388 -0.835 1.00 0.00 O HETATM 30 C21 UNL 1 6.126 -2.376 -1.089 1.00 0.00 C HETATM 31 C22 UNL 1 7.278 -1.465 -1.168 1.00 0.00 C HETATM 32 C23 UNL 1 7.879 -1.196 -2.384 1.00 0.00 C HETATM 33 C24 UNL 1 8.966 -0.350 -2.503 1.00 0.00 C HETATM 34 C25 UNL 1 9.491 0.259 -1.398 1.00 0.00 C HETATM 35 C26 UNL 1 8.907 0.003 -0.183 1.00 0.00 C HETATM 36 C27 UNL 1 9.426 0.614 0.960 1.00 0.00 C HETATM 37 C28 UNL 1 8.858 0.373 2.185 1.00 0.00 C HETATM 38 C29 UNL 1 7.778 -0.469 2.293 1.00 0.00 C HETATM 39 C30 UNL 1 7.254 -1.077 1.185 1.00 0.00 C HETATM 40 C31 UNL 1 7.820 -0.841 -0.051 1.00 0.00 C HETATM 41 C32 UNL 1 -0.444 -0.964 -1.707 1.00 0.00 C HETATM 42 C33 UNL 1 -1.136 -0.822 -0.364 1.00 0.00 C HETATM 43 O10 UNL 1 -2.061 -1.692 -0.023 1.00 0.00 O HETATM 44 C34 UNL 1 -1.743 -2.586 1.005 1.00 0.00 C HETATM 45 C35 UNL 1 -2.770 -2.471 2.068 1.00 0.00 C HETATM 46 C36 UNL 1 -3.742 -3.603 2.127 1.00 0.00 C HETATM 47 N1 UNL 1 -3.317 -4.683 3.009 1.00 0.00 N HETATM 48 C37 UNL 1 -4.152 -4.095 0.790 1.00 0.00 C HETATM 49 O11 UNL 1 -4.719 -5.373 0.839 1.00 0.00 O HETATM 50 C38 UNL 1 -3.016 -4.116 -0.166 1.00 0.00 C HETATM 51 C39 UNL 1 -2.984 -5.374 -1.022 1.00 0.00 C HETATM 52 O12 UNL 1 -1.770 -3.836 0.371 1.00 0.00 O HETATM 53 H1 UNL 1 -8.511 4.778 1.768 1.00 0.00 H HETATM 54 H2 UNL 1 -8.690 5.031 -0.028 1.00 0.00 H HETATM 55 H3 UNL 1 -9.079 3.431 0.698 1.00 0.00 H HETATM 56 H4 UNL 1 -7.313 6.517 0.746 1.00 0.00 H HETATM 57 H5 UNL 1 -5.505 8.154 0.588 1.00 0.00 H HETATM 58 H6 UNL 1 -3.191 7.341 0.260 1.00 0.00 H HETATM 59 H7 UNL 1 -4.042 -0.722 -0.024 1.00 0.00 H HETATM 60 H8 UNL 1 1.146 3.617 -0.469 1.00 0.00 H HETATM 61 H9 UNL 1 1.520 1.743 -0.872 1.00 0.00 H HETATM 62 H10 UNL 1 1.144 0.502 0.327 1.00 0.00 H HETATM 63 H11 UNL 1 -0.191 1.137 -2.988 1.00 0.00 H HETATM 64 H12 UNL 1 1.626 -2.498 -0.465 1.00 0.00 H HETATM 65 H13 UNL 1 2.361 -1.105 0.349 1.00 0.00 H HETATM 66 H14 UNL 1 6.251 -3.173 -0.329 1.00 0.00 H HETATM 67 H15 UNL 1 6.029 -2.897 -2.063 1.00 0.00 H HETATM 68 H16 UNL 1 7.488 -1.662 -3.278 1.00 0.00 H HETATM 69 H17 UNL 1 9.430 -0.149 -3.475 1.00 0.00 H HETATM 70 H18 UNL 1 10.343 0.921 -1.495 1.00 0.00 H HETATM 71 H19 UNL 1 10.281 1.272 0.826 1.00 0.00 H HETATM 72 H20 UNL 1 9.295 0.872 3.060 1.00 0.00 H HETATM 73 H21 UNL 1 7.378 -0.612 3.303 1.00 0.00 H HETATM 74 H22 UNL 1 6.406 -1.738 1.271 1.00 0.00 H HETATM 75 H23 UNL 1 -1.142 -0.666 -2.485 1.00 0.00 H HETATM 76 H24 UNL 1 -0.062 -2.001 -1.770 1.00 0.00 H HETATM 77 H25 UNL 1 -0.252 -0.952 0.366 1.00 0.00 H HETATM 78 H26 UNL 1 -0.736 -2.447 1.399 1.00 0.00 H HETATM 79 H27 UNL 1 -3.298 -1.507 2.042 1.00 0.00 H HETATM 80 H28 UNL 1 -2.243 -2.471 3.065 1.00 0.00 H HETATM 81 H29 UNL 1 -4.675 -3.189 2.616 1.00 0.00 H HETATM 82 H30 UNL 1 -2.281 -4.716 3.105 1.00 0.00 H HETATM 83 H31 UNL 1 -3.727 -5.588 2.672 1.00 0.00 H HETATM 84 H32 UNL 1 -4.933 -3.381 0.393 1.00 0.00 H HETATM 85 H33 UNL 1 -5.534 -5.351 0.285 1.00 0.00 H HETATM 86 H34 UNL 1 -3.184 -3.271 -0.901 1.00 0.00 H HETATM 87 H35 UNL 1 -2.239 -6.103 -0.642 1.00 0.00 H HETATM 88 H36 UNL 1 -4.008 -5.807 -0.980 1.00 0.00 H HETATM 89 H37 UNL 1 -2.787 -5.115 -2.072 1.00 0.00 H CONECT 1 2 53 54 55 CONECT 2 3 CONECT 3 4 4 8 CONECT 4 5 56 CONECT 5 6 6 57 CONECT 6 7 58 CONECT 7 8 8 19 CONECT 8 9 CONECT 9 10 10 11 CONECT 11 12 12 18 CONECT 12 13 14 CONECT 13 59 CONECT 14 15 15 42 CONECT 15 16 21 CONECT 16 17 18 18 CONECT 17 60 CONECT 18 19 CONECT 19 20 20 CONECT 21 22 61 62 CONECT 22 23 24 41 CONECT 23 63 CONECT 24 25 25 26 CONECT 26 27 64 65 CONECT 27 28 CONECT 28 29 29 30 CONECT 30 31 66 67 CONECT 31 32 32 40 CONECT 32 33 68 CONECT 33 34 34 69 CONECT 34 35 70 CONECT 35 36 36 40 CONECT 36 37 71 CONECT 37 38 38 72 CONECT 38 39 73 CONECT 39 40 40 74 CONECT 41 42 75 76 CONECT 42 43 77 CONECT 43 44 CONECT 44 45 52 78 CONECT 45 46 79 80 CONECT 46 47 48 81 CONECT 47 82 83 CONECT 48 49 50 84 CONECT 49 85 CONECT 50 51 52 86 CONECT 51 87 88 89 END