COMPND HMDB0253341 HETATM 1 C1 UNL 1 -4.063 6.999 0.007 1.00 0.00 C HETATM 2 O1 UNL 1 -4.778 5.886 0.485 1.00 0.00 O HETATM 3 C2 UNL 1 -4.135 4.643 0.583 1.00 0.00 C HETATM 4 C3 UNL 1 -2.807 4.501 0.214 1.00 0.00 C HETATM 5 C4 UNL 1 -2.216 3.255 0.329 1.00 0.00 C HETATM 6 C5 UNL 1 -2.866 2.133 0.791 1.00 0.00 C HETATM 7 C6 UNL 1 -2.121 0.895 0.922 1.00 0.00 C HETATM 8 O2 UNL 1 -0.800 0.995 0.863 1.00 0.00 O HETATM 9 C7 UNL 1 0.012 -0.027 0.968 1.00 0.00 C HETATM 10 C8 UNL 1 1.371 0.174 0.895 1.00 0.00 C HETATM 11 C9 UNL 1 1.960 1.523 0.700 1.00 0.00 C HETATM 12 C10 UNL 1 1.844 1.997 -0.718 1.00 0.00 C HETATM 13 C11 UNL 1 2.933 2.309 -1.397 1.00 0.00 C HETATM 14 C12 UNL 1 2.798 2.777 -2.802 1.00 0.00 C HETATM 15 C13 UNL 1 4.303 2.211 -0.792 1.00 0.00 C HETATM 16 C14 UNL 1 2.210 -0.949 1.014 1.00 0.00 C HETATM 17 O3 UNL 1 3.573 -0.776 0.945 1.00 0.00 O HETATM 18 C15 UNL 1 4.504 -1.791 1.051 1.00 0.00 C HETATM 19 O4 UNL 1 5.251 -1.792 -0.137 1.00 0.00 O HETATM 20 C16 UNL 1 6.478 -1.151 -0.010 1.00 0.00 C HETATM 21 C17 UNL 1 6.999 -0.901 -1.416 1.00 0.00 C HETATM 22 O5 UNL 1 8.249 -0.247 -1.316 1.00 0.00 O HETATM 23 C18 UNL 1 7.406 -2.091 0.745 1.00 0.00 C HETATM 24 O6 UNL 1 7.597 -3.212 -0.061 1.00 0.00 O HETATM 25 C19 UNL 1 6.631 -2.502 1.997 1.00 0.00 C HETATM 26 O7 UNL 1 6.077 -3.782 1.792 1.00 0.00 O HETATM 27 C20 UNL 1 5.459 -1.567 2.224 1.00 0.00 C HETATM 28 O8 UNL 1 4.839 -1.998 3.416 1.00 0.00 O HETATM 29 C21 UNL 1 1.633 -2.182 1.195 1.00 0.00 C HETATM 30 C22 UNL 1 0.251 -2.352 1.265 1.00 0.00 C HETATM 31 O9 UNL 1 -0.324 -3.606 1.448 1.00 0.00 O HETATM 32 C23 UNL 1 -0.573 -1.254 1.149 1.00 0.00 C HETATM 33 C24 UNL 1 -1.935 -1.438 1.219 1.00 0.00 C HETATM 34 O10 UNL 1 -2.450 -2.570 1.386 1.00 0.00 O HETATM 35 C25 UNL 1 -2.740 -0.312 1.099 1.00 0.00 C HETATM 36 O11 UNL 1 -4.095 -0.555 1.163 1.00 0.00 O HETATM 37 C26 UNL 1 -4.725 -0.934 -0.064 1.00 0.00 C HETATM 38 O12 UNL 1 -4.803 -2.347 0.018 1.00 0.00 O HETATM 39 C27 UNL 1 -5.270 -2.935 -1.128 1.00 0.00 C HETATM 40 C28 UNL 1 -4.230 -3.558 -2.000 1.00 0.00 C HETATM 41 C29 UNL 1 -6.186 -1.984 -1.909 1.00 0.00 C HETATM 42 O13 UNL 1 -6.969 -2.703 -2.787 1.00 0.00 O HETATM 43 C30 UNL 1 -7.027 -1.304 -0.823 1.00 0.00 C HETATM 44 O14 UNL 1 -8.152 -0.696 -1.331 1.00 0.00 O HETATM 45 C31 UNL 1 -6.072 -0.319 -0.152 1.00 0.00 C HETATM 46 O15 UNL 1 -6.017 0.777 -1.015 1.00 0.00 O HETATM 47 C32 UNL 1 -4.180 2.280 1.155 1.00 0.00 C HETATM 48 C33 UNL 1 -4.800 3.530 1.048 1.00 0.00 C HETATM 49 H1 UNL 1 -4.754 7.854 -0.175 1.00 0.00 H HETATM 50 H2 UNL 1 -3.514 6.734 -0.916 1.00 0.00 H HETATM 51 H3 UNL 1 -3.309 7.264 0.800 1.00 0.00 H HETATM 52 H4 UNL 1 -2.249 5.351 -0.155 1.00 0.00 H HETATM 53 H5 UNL 1 -1.185 3.172 0.033 1.00 0.00 H HETATM 54 H6 UNL 1 1.402 2.291 1.307 1.00 0.00 H HETATM 55 H7 UNL 1 2.993 1.541 1.047 1.00 0.00 H HETATM 56 H8 UNL 1 0.886 2.092 -1.210 1.00 0.00 H HETATM 57 H9 UNL 1 2.369 1.939 -3.405 1.00 0.00 H HETATM 58 H10 UNL 1 2.073 3.629 -2.814 1.00 0.00 H HETATM 59 H11 UNL 1 3.757 3.141 -3.195 1.00 0.00 H HETATM 60 H12 UNL 1 4.372 2.750 0.177 1.00 0.00 H HETATM 61 H13 UNL 1 4.624 1.160 -0.685 1.00 0.00 H HETATM 62 H14 UNL 1 5.041 2.717 -1.471 1.00 0.00 H HETATM 63 H15 UNL 1 4.095 -2.806 1.182 1.00 0.00 H HETATM 64 H16 UNL 1 6.421 -0.169 0.475 1.00 0.00 H HETATM 65 H17 UNL 1 6.333 -0.207 -1.950 1.00 0.00 H HETATM 66 H18 UNL 1 7.081 -1.857 -1.953 1.00 0.00 H HETATM 67 H19 UNL 1 8.268 0.315 -0.500 1.00 0.00 H HETATM 68 H20 UNL 1 8.349 -1.613 1.034 1.00 0.00 H HETATM 69 H21 UNL 1 6.726 -3.401 -0.493 1.00 0.00 H HETATM 70 H22 UNL 1 7.285 -2.550 2.868 1.00 0.00 H HETATM 71 H23 UNL 1 6.059 -4.244 2.681 1.00 0.00 H HETATM 72 H24 UNL 1 5.737 -0.524 2.360 1.00 0.00 H HETATM 73 H25 UNL 1 4.133 -2.651 3.256 1.00 0.00 H HETATM 74 H26 UNL 1 2.219 -3.090 1.296 1.00 0.00 H HETATM 75 H27 UNL 1 0.204 -4.448 1.542 1.00 0.00 H HETATM 76 H28 UNL 1 -4.080 -0.742 -0.917 1.00 0.00 H HETATM 77 H29 UNL 1 -5.967 -3.780 -0.834 1.00 0.00 H HETATM 78 H30 UNL 1 -3.358 -2.927 -2.204 1.00 0.00 H HETATM 79 H31 UNL 1 -4.740 -3.835 -2.965 1.00 0.00 H HETATM 80 H32 UNL 1 -3.950 -4.557 -1.551 1.00 0.00 H HETATM 81 H33 UNL 1 -5.617 -1.235 -2.481 1.00 0.00 H HETATM 82 H34 UNL 1 -7.751 -3.048 -2.311 1.00 0.00 H HETATM 83 H35 UNL 1 -7.258 -2.093 -0.078 1.00 0.00 H HETATM 84 H36 UNL 1 -8.287 -1.055 -2.254 1.00 0.00 H HETATM 85 H37 UNL 1 -6.473 0.005 0.832 1.00 0.00 H HETATM 86 H38 UNL 1 -5.356 0.671 -1.733 1.00 0.00 H HETATM 87 H39 UNL 1 -4.779 1.503 1.551 1.00 0.00 H HETATM 88 H40 UNL 1 -5.846 3.652 1.338 1.00 0.00 H CONECT 1 2 49 50 51 CONECT 2 3 CONECT 3 4 4 48 CONECT 4 5 52 CONECT 5 6 6 53 CONECT 6 7 47 CONECT 7 8 35 35 CONECT 8 9 CONECT 9 10 10 32 CONECT 10 11 16 CONECT 11 12 54 55 CONECT 12 13 13 56 CONECT 13 14 15 CONECT 14 57 58 59 CONECT 15 60 61 62 CONECT 16 17 29 29 CONECT 17 18 CONECT 18 19 27 63 CONECT 19 20 CONECT 20 21 23 64 CONECT 21 22 65 66 CONECT 22 67 CONECT 23 24 25 68 CONECT 24 69 CONECT 25 26 27 70 CONECT 26 71 CONECT 27 28 72 CONECT 28 73 CONECT 29 30 74 CONECT 30 31 32 32 CONECT 31 75 CONECT 32 33 CONECT 33 34 34 35 CONECT 35 36 CONECT 36 37 CONECT 37 38 45 76 CONECT 38 39 CONECT 39 40 41 77 CONECT 40 78 79 80 CONECT 41 42 43 81 CONECT 42 82 CONECT 43 44 45 83 CONECT 44 84 CONECT 45 46 85 CONECT 46 86 CONECT 47 48 48 87 CONECT 48 88 END