COMPND HMDB0033422 HETATM 1 O1 UNL 1 6.290 2.171 2.669 1.00 0.00 O HETATM 2 C1 UNL 1 5.584 1.248 1.900 1.00 0.00 C HETATM 3 C2 UNL 1 4.384 0.791 2.385 1.00 0.00 C HETATM 4 C3 UNL 1 3.653 -0.131 1.647 1.00 0.00 C HETATM 5 C4 UNL 1 4.100 -0.611 0.422 1.00 0.00 C HETATM 6 C5 UNL 1 3.282 -1.601 -0.303 1.00 0.00 C HETATM 7 O2 UNL 1 1.893 -1.362 -0.229 1.00 0.00 O HETATM 8 C6 UNL 1 1.349 -0.291 -0.957 1.00 0.00 C HETATM 9 C7 UNL 1 2.024 0.202 -2.041 1.00 0.00 C HETATM 10 C8 UNL 1 1.508 1.281 -2.793 1.00 0.00 C HETATM 11 O3 UNL 1 2.210 1.762 -3.878 1.00 0.00 O HETATM 12 C9 UNL 1 0.312 1.795 -2.381 1.00 0.00 C HETATM 13 C10 UNL 1 -0.358 1.289 -1.288 1.00 0.00 C HETATM 14 C11 UNL 1 0.119 0.248 -0.545 1.00 0.00 C HETATM 15 C12 UNL 1 -0.553 -0.354 0.650 1.00 0.00 C HETATM 16 C13 UNL 1 -1.336 -1.555 0.353 1.00 0.00 C HETATM 17 C14 UNL 1 -1.033 -2.805 0.770 1.00 0.00 C HETATM 18 O4 UNL 1 0.049 -3.084 1.551 1.00 0.00 O HETATM 19 C15 UNL 1 -1.829 -3.905 0.423 1.00 0.00 C HETATM 20 C16 UNL 1 -2.930 -3.709 -0.349 1.00 0.00 C HETATM 21 O5 UNL 1 -3.733 -4.780 -0.708 1.00 0.00 O HETATM 22 C17 UNL 1 -3.275 -2.464 -0.791 1.00 0.00 C HETATM 23 C18 UNL 1 -2.481 -1.390 -0.441 1.00 0.00 C HETATM 24 O6 UNL 1 -2.741 -0.098 -0.829 1.00 0.00 O HETATM 25 C19 UNL 1 -2.402 1.046 -0.082 1.00 0.00 C HETATM 26 C20 UNL 1 -3.655 1.728 0.303 1.00 0.00 C HETATM 27 C21 UNL 1 -3.713 2.621 1.361 1.00 0.00 C HETATM 28 C22 UNL 1 -4.898 3.243 1.694 1.00 0.00 C HETATM 29 C23 UNL 1 -6.070 2.989 0.977 1.00 0.00 C HETATM 30 O7 UNL 1 -7.265 3.611 1.305 1.00 0.00 O HETATM 31 C24 UNL 1 -6.016 2.102 -0.072 1.00 0.00 C HETATM 32 C25 UNL 1 -4.821 1.489 -0.391 1.00 0.00 C HETATM 33 O8 UNL 1 -1.583 1.880 -0.929 1.00 0.00 O HETATM 34 C26 UNL 1 -1.555 0.704 1.151 1.00 0.00 C HETATM 35 O9 UNL 1 -2.402 0.084 2.044 1.00 0.00 O HETATM 36 C27 UNL 1 3.331 -0.361 -2.507 1.00 0.00 C HETATM 37 C28 UNL 1 3.655 -1.628 -1.789 1.00 0.00 C HETATM 38 O10 UNL 1 2.844 -2.646 -2.341 1.00 0.00 O HETATM 39 C29 UNL 1 5.315 -0.128 -0.035 1.00 0.00 C HETATM 40 C30 UNL 1 6.058 0.794 0.692 1.00 0.00 C HETATM 41 H1 UNL 1 6.152 3.174 2.571 1.00 0.00 H HETATM 42 H2 UNL 1 3.981 1.123 3.348 1.00 0.00 H HETATM 43 H3 UNL 1 2.700 -0.512 2.011 1.00 0.00 H HETATM 44 H4 UNL 1 3.481 -2.611 0.088 1.00 0.00 H HETATM 45 H5 UNL 1 3.087 1.332 -4.105 1.00 0.00 H HETATM 46 H6 UNL 1 -0.128 2.622 -2.916 1.00 0.00 H HETATM 47 H7 UNL 1 0.190 -0.484 1.463 1.00 0.00 H HETATM 48 H8 UNL 1 0.665 -2.386 1.881 1.00 0.00 H HETATM 49 H9 UNL 1 -1.596 -4.918 0.750 1.00 0.00 H HETATM 50 H10 UNL 1 -4.500 -5.019 -0.102 1.00 0.00 H HETATM 51 H11 UNL 1 -4.158 -2.304 -1.405 1.00 0.00 H HETATM 52 H12 UNL 1 -2.810 2.817 1.932 1.00 0.00 H HETATM 53 H13 UNL 1 -4.983 3.936 2.514 1.00 0.00 H HETATM 54 H14 UNL 1 -7.934 3.187 1.976 1.00 0.00 H HETATM 55 H15 UNL 1 -6.908 1.905 -0.638 1.00 0.00 H HETATM 56 H16 UNL 1 -4.858 0.808 -1.244 1.00 0.00 H HETATM 57 H17 UNL 1 -1.062 1.605 1.508 1.00 0.00 H HETATM 58 H18 UNL 1 -2.483 0.554 2.892 1.00 0.00 H HETATM 59 H19 UNL 1 4.123 0.402 -2.494 1.00 0.00 H HETATM 60 H20 UNL 1 3.198 -0.620 -3.595 1.00 0.00 H HETATM 61 H21 UNL 1 4.698 -1.955 -1.922 1.00 0.00 H HETATM 62 H22 UNL 1 3.122 -3.541 -1.985 1.00 0.00 H HETATM 63 H23 UNL 1 5.705 -0.460 -0.969 1.00 0.00 H HETATM 64 H24 UNL 1 7.006 1.169 0.352 1.00 0.00 H CONECT 1 2 41 CONECT 2 3 3 40 CONECT 3 4 42 CONECT 4 5 5 43 CONECT 5 6 39 CONECT 6 7 37 44 CONECT 7 8 CONECT 8 9 9 14 CONECT 9 10 36 CONECT 10 11 12 12 CONECT 11 45 CONECT 12 13 46 CONECT 13 14 14 33 CONECT 14 15 CONECT 15 16 34 47 CONECT 16 17 17 23 CONECT 17 18 19 CONECT 18 48 CONECT 19 20 20 49 CONECT 20 21 22 CONECT 21 50 CONECT 22 23 23 51 CONECT 23 24 CONECT 24 25 CONECT 25 26 33 34 CONECT 26 27 27 32 CONECT 27 28 52 CONECT 28 29 29 53 CONECT 29 30 31 CONECT 30 54 CONECT 31 32 32 55 CONECT 32 56 CONECT 34 35 57 CONECT 35 58 CONECT 36 37 59 60 CONECT 37 38 61 CONECT 38 62 CONECT 39 40 40 63 CONECT 40 64 END