COMPND HMDB0301692 HETATM 1 O1 UNL 1 -1.275 -0.208 2.581 1.00 0.00 O HETATM 2 C1 UNL 1 -2.434 -0.173 2.088 1.00 0.00 C HETATM 3 C2 UNL 1 -2.786 0.781 1.118 1.00 0.00 C HETATM 4 O2 UNL 1 -1.755 1.641 0.764 1.00 0.00 O HETATM 5 C3 UNL 1 -0.729 1.196 -0.141 1.00 0.00 C HETATM 6 O3 UNL 1 0.449 1.481 0.508 1.00 0.00 O HETATM 7 C4 UNL 1 1.602 1.066 -0.169 1.00 0.00 C HETATM 8 C5 UNL 1 2.765 1.418 0.712 1.00 0.00 C HETATM 9 O4 UNL 1 3.998 1.063 0.296 1.00 0.00 O HETATM 10 C6 UNL 1 4.244 -0.287 0.166 1.00 0.00 C HETATM 11 O5 UNL 1 5.272 -0.709 0.999 1.00 0.00 O HETATM 12 C7 UNL 1 5.334 -2.098 1.058 1.00 0.00 C HETATM 13 C8 UNL 1 6.413 -2.591 1.981 1.00 0.00 C HETATM 14 O6 UNL 1 6.244 -2.157 3.286 1.00 0.00 O HETATM 15 C9 UNL 1 5.534 -2.678 -0.327 1.00 0.00 C HETATM 16 O7 UNL 1 4.541 -3.572 -0.700 1.00 0.00 O HETATM 17 C10 UNL 1 5.719 -1.553 -1.335 1.00 0.00 C HETATM 18 O8 UNL 1 6.940 -0.935 -1.197 1.00 0.00 O HETATM 19 C11 UNL 1 4.627 -0.556 -1.255 1.00 0.00 C HETATM 20 O9 UNL 1 3.494 -0.946 -1.988 1.00 0.00 O HETATM 21 C12 UNL 1 1.583 1.902 -1.439 1.00 0.00 C HETATM 22 O10 UNL 1 2.780 2.032 -2.068 1.00 0.00 O HETATM 23 C13 UNL 1 0.457 1.353 -2.275 1.00 0.00 C HETATM 24 O11 UNL 1 0.445 1.806 -3.567 1.00 0.00 O HETATM 25 C14 UNL 1 -0.847 1.717 -1.535 1.00 0.00 C HETATM 26 O12 UNL 1 -1.852 0.981 -2.190 1.00 0.00 O HETATM 27 C15 UNL 1 -4.010 0.855 0.573 1.00 0.00 C HETATM 28 C16 UNL 1 -4.442 1.815 -0.414 1.00 0.00 C HETATM 29 C17 UNL 1 -3.800 2.974 -0.743 1.00 0.00 C HETATM 30 C18 UNL 1 -4.283 3.819 -1.731 1.00 0.00 C HETATM 31 C19 UNL 1 -5.450 3.506 -2.421 1.00 0.00 C HETATM 32 O13 UNL 1 -5.888 4.372 -3.387 1.00 0.00 O HETATM 33 C20 UNL 1 -6.115 2.351 -2.111 1.00 0.00 C HETATM 34 O14 UNL 1 -7.299 2.009 -2.795 1.00 0.00 O HETATM 35 C21 UNL 1 -5.616 1.534 -1.132 1.00 0.00 C HETATM 36 O15 UNL 1 -4.916 -0.036 0.984 1.00 0.00 O HETATM 37 C22 UNL 1 -4.672 -0.953 1.876 1.00 0.00 C HETATM 38 C23 UNL 1 -5.631 -1.861 2.280 1.00 0.00 C HETATM 39 C24 UNL 1 -5.395 -2.831 3.215 1.00 0.00 C HETATM 40 O16 UNL 1 -6.364 -3.727 3.605 1.00 0.00 O HETATM 41 C25 UNL 1 -4.144 -2.911 3.783 1.00 0.00 C HETATM 42 C26 UNL 1 -3.172 -2.029 3.408 1.00 0.00 C HETATM 43 O17 UNL 1 -1.902 -2.075 3.955 1.00 0.00 O HETATM 44 C27 UNL 1 -3.420 -1.053 2.462 1.00 0.00 C HETATM 45 H1 UNL 1 -0.855 0.065 -0.248 1.00 0.00 H HETATM 46 H2 UNL 1 1.483 -0.011 -0.363 1.00 0.00 H HETATM 47 H3 UNL 1 2.505 1.047 1.741 1.00 0.00 H HETATM 48 H4 UNL 1 2.743 2.541 0.808 1.00 0.00 H HETATM 49 H5 UNL 1 3.367 -0.914 0.437 1.00 0.00 H HETATM 50 H6 UNL 1 4.365 -2.465 1.429 1.00 0.00 H HETATM 51 H7 UNL 1 6.319 -3.712 2.019 1.00 0.00 H HETATM 52 H8 UNL 1 7.421 -2.375 1.569 1.00 0.00 H HETATM 53 H9 UNL 1 6.528 -1.226 3.397 1.00 0.00 H HETATM 54 H10 UNL 1 6.490 -3.234 -0.310 1.00 0.00 H HETATM 55 H11 UNL 1 4.934 -4.420 -1.044 1.00 0.00 H HETATM 56 H12 UNL 1 5.634 -2.051 -2.341 1.00 0.00 H HETATM 57 H13 UNL 1 7.622 -1.461 -1.688 1.00 0.00 H HETATM 58 H14 UNL 1 4.970 0.406 -1.727 1.00 0.00 H HETATM 59 H15 UNL 1 3.656 -1.783 -2.490 1.00 0.00 H HETATM 60 H16 UNL 1 1.250 2.942 -1.147 1.00 0.00 H HETATM 61 H17 UNL 1 3.074 2.936 -2.296 1.00 0.00 H HETATM 62 H18 UNL 1 0.507 0.234 -2.189 1.00 0.00 H HETATM 63 H19 UNL 1 0.866 1.089 -4.138 1.00 0.00 H HETATM 64 H20 UNL 1 -0.993 2.795 -1.572 1.00 0.00 H HETATM 65 H21 UNL 1 -1.923 0.094 -1.754 1.00 0.00 H HETATM 66 H22 UNL 1 -2.900 3.263 -0.224 1.00 0.00 H HETATM 67 H23 UNL 1 -3.728 4.718 -1.942 1.00 0.00 H HETATM 68 H24 UNL 1 -5.389 5.214 -3.601 1.00 0.00 H HETATM 69 H25 UNL 1 -7.618 2.649 -3.504 1.00 0.00 H HETATM 70 H26 UNL 1 -6.151 0.618 -0.895 1.00 0.00 H HETATM 71 H27 UNL 1 -6.615 -1.805 1.838 1.00 0.00 H HETATM 72 H28 UNL 1 -6.184 -4.443 4.296 1.00 0.00 H HETATM 73 H29 UNL 1 -3.928 -3.673 4.528 1.00 0.00 H HETATM 74 H30 UNL 1 -1.695 -2.776 4.635 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 44 CONECT 3 4 27 27 CONECT 4 5 CONECT 5 6 25 45 CONECT 6 7 CONECT 7 8 21 46 CONECT 8 9 47 48 CONECT 9 10 CONECT 10 11 19 49 CONECT 11 12 CONECT 12 13 15 50 CONECT 13 14 51 52 CONECT 14 53 CONECT 15 16 17 54 CONECT 16 55 CONECT 17 18 19 56 CONECT 18 57 CONECT 19 20 58 CONECT 20 59 CONECT 21 22 23 60 CONECT 22 61 CONECT 23 24 25 62 CONECT 24 63 CONECT 25 26 64 CONECT 26 65 CONECT 27 28 36 CONECT 28 29 29 35 CONECT 29 30 66 CONECT 30 31 31 67 CONECT 31 32 33 CONECT 32 68 CONECT 33 34 35 35 CONECT 34 69 CONECT 35 70 CONECT 36 37 CONECT 37 38 38 44 CONECT 38 39 71 CONECT 39 40 41 41 CONECT 40 72 CONECT 41 42 73 CONECT 42 43 44 44 CONECT 43 74 END