COMPND HMDB0304327 HETATM 1 O1 UNL 1 5.166 3.637 4.152 1.00 0.00 O HETATM 2 C1 UNL 1 5.659 2.514 3.927 1.00 0.00 C HETATM 3 O2 UNL 1 7.008 2.322 4.216 1.00 0.00 O1- HETATM 4 C2 UNL 1 4.851 1.428 3.379 1.00 0.00 C HETATM 5 C3 UNL 1 4.777 1.447 1.898 1.00 0.00 C HETATM 6 O3 UNL 1 5.354 2.346 1.241 1.00 0.00 O HETATM 7 O4 UNL 1 4.071 0.471 1.243 1.00 0.00 O HETATM 8 C4 UNL 1 3.940 0.395 -0.185 1.00 0.00 C HETATM 9 C5 UNL 1 3.099 -0.835 -0.540 1.00 0.00 C HETATM 10 O5 UNL 1 1.847 -0.806 -0.040 1.00 0.00 O HETATM 11 C6 UNL 1 0.809 -0.422 -0.880 1.00 0.00 C HETATM 12 O6 UNL 1 -0.377 -0.678 -0.398 1.00 0.00 O HETATM 13 C7 UNL 1 -1.550 -0.928 0.077 1.00 0.00 C HETATM 14 C8 UNL 1 -1.789 -2.260 0.558 1.00 0.00 C HETATM 15 C9 UNL 1 -2.972 -2.663 1.071 1.00 0.00 C HETATM 16 C10 UNL 1 -3.216 -3.934 1.535 1.00 0.00 C HETATM 17 O7 UNL 1 -2.243 -4.903 1.505 1.00 0.00 O HETATM 18 C11 UNL 1 -4.450 -4.252 2.039 1.00 0.00 C HETATM 19 C12 UNL 1 -5.469 -3.321 2.095 1.00 0.00 C HETATM 20 O8 UNL 1 -6.607 -3.620 2.562 1.00 0.00 O HETATM 21 C13 UNL 1 -5.249 -2.041 1.637 1.00 0.00 C HETATM 22 C14 UNL 1 -4.038 -1.652 1.119 1.00 0.00 C HETATM 23 O9 UNL 1 -3.777 -0.470 0.678 1.00 0.00 O HETATM 24 C15 UNL 1 -2.607 -0.062 0.169 1.00 0.00 C HETATM 25 C16 UNL 1 -2.591 1.335 -0.256 1.00 0.00 C HETATM 26 C17 UNL 1 -1.482 2.101 -0.352 1.00 0.00 C HETATM 27 C18 UNL 1 -1.597 3.398 -0.864 1.00 0.00 C HETATM 28 O10 UNL 1 -0.464 4.174 -0.962 1.00 0.00 O HETATM 29 C19 UNL 1 -2.816 3.916 -1.272 1.00 0.00 C HETATM 30 O11 UNL 1 -2.919 5.194 -1.775 1.00 0.00 O HETATM 31 C20 UNL 1 -3.946 3.138 -1.172 1.00 0.00 C HETATM 32 O12 UNL 1 -5.193 3.633 -1.574 1.00 0.00 O HETATM 33 C21 UNL 1 -3.823 1.882 -0.676 1.00 0.00 C HETATM 34 C22 UNL 1 0.944 -1.184 -2.226 1.00 0.00 C HETATM 35 O13 UNL 1 1.060 -2.542 -1.973 1.00 0.00 O HETATM 36 C23 UNL 1 2.253 -0.721 -2.847 1.00 0.00 C HETATM 37 O14 UNL 1 2.280 0.662 -3.001 1.00 0.00 O HETATM 38 C24 UNL 1 3.325 -1.239 -1.944 1.00 0.00 C HETATM 39 O15 UNL 1 3.275 -2.637 -2.025 1.00 0.00 O HETATM 40 H1 UNL 1 5.259 0.435 3.708 1.00 0.00 H HETATM 41 H2 UNL 1 3.802 1.469 3.785 1.00 0.00 H HETATM 42 H3 UNL 1 3.520 1.320 -0.570 1.00 0.00 H HETATM 43 H4 UNL 1 4.969 0.236 -0.565 1.00 0.00 H HETATM 44 H5 UNL 1 3.631 -1.652 0.081 1.00 0.00 H HETATM 45 H6 UNL 1 0.956 0.647 -1.223 1.00 0.00 H HETATM 46 H7 UNL 1 -0.974 -2.964 0.500 1.00 0.00 H HETATM 47 H8 UNL 1 -1.316 -4.787 1.162 1.00 0.00 H HETATM 48 H9 UNL 1 -4.686 -5.256 2.418 1.00 0.00 H HETATM 49 H10 UNL 1 -6.055 -1.298 1.679 1.00 0.00 H HETATM 50 H11 UNL 1 -0.529 1.757 0.004 1.00 0.00 H HETATM 51 H12 UNL 1 0.429 3.809 -0.671 1.00 0.00 H HETATM 52 H13 UNL 1 -2.081 5.751 -1.840 1.00 0.00 H HETATM 53 H14 UNL 1 -5.245 4.569 -1.939 1.00 0.00 H HETATM 54 H15 UNL 1 -4.716 1.284 -0.605 1.00 0.00 H HETATM 55 H16 UNL 1 0.064 -0.931 -2.815 1.00 0.00 H HETATM 56 H17 UNL 1 0.555 -3.102 -2.611 1.00 0.00 H HETATM 57 H18 UNL 1 2.314 -1.220 -3.844 1.00 0.00 H HETATM 58 H19 UNL 1 1.371 0.988 -3.214 1.00 0.00 H HETATM 59 H20 UNL 1 4.322 -0.858 -2.257 1.00 0.00 H HETATM 60 H21 UNL 1 3.870 -3.021 -1.322 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 4 5 40 41 CONECT 5 6 6 7 CONECT 7 8 CONECT 8 9 42 43 CONECT 9 10 38 44 CONECT 10 11 CONECT 11 12 34 45 CONECT 12 13 CONECT 13 14 24 24 CONECT 14 15 15 46 CONECT 15 16 22 CONECT 16 17 18 18 CONECT 17 47 CONECT 18 19 48 CONECT 19 20 20 21 CONECT 21 22 22 49 CONECT 22 23 CONECT 23 24 CONECT 24 25 CONECT 25 26 26 33 CONECT 26 27 50 CONECT 27 28 29 29 CONECT 28 51 CONECT 29 30 31 CONECT 30 52 CONECT 31 32 33 33 CONECT 32 53 CONECT 33 54 CONECT 34 35 36 55 CONECT 35 56 CONECT 36 37 38 57 CONECT 37 58 CONECT 38 39 59 CONECT 39 60 END