COMPND HMDB0039370 HETATM 1 O1 UNL 1 2.691 -1.195 -1.820 1.00 0.00 O HETATM 2 C1 UNL 1 3.155 -0.050 -2.049 1.00 0.00 C HETATM 3 O2 UNL 1 2.397 1.046 -1.815 1.00 0.00 O HETATM 4 C2 UNL 1 1.101 1.099 -1.329 1.00 0.00 C HETATM 5 C3 UNL 1 0.056 0.397 -2.117 1.00 0.00 C HETATM 6 O3 UNL 1 0.183 -0.963 -2.187 1.00 0.00 O HETATM 7 C4 UNL 1 -0.564 -1.537 -1.152 1.00 0.00 C HETATM 8 O4 UNL 1 0.237 -2.163 -0.219 1.00 0.00 O HETATM 9 C5 UNL 1 -1.442 -0.502 -0.555 1.00 0.00 C HETATM 10 O5 UNL 1 -0.924 0.008 0.621 1.00 0.00 O HETATM 11 C6 UNL 1 -2.855 -0.986 -0.389 1.00 0.00 C HETATM 12 O6 UNL 1 -2.826 -1.991 0.627 1.00 0.00 O HETATM 13 C7 UNL 1 -3.985 -2.626 1.059 1.00 0.00 C HETATM 14 O7 UNL 1 -5.059 -2.267 0.504 1.00 0.00 O HETATM 15 C8 UNL 1 -3.928 -3.641 2.095 1.00 0.00 C HETATM 16 C9 UNL 1 -5.047 -4.276 2.558 1.00 0.00 C HETATM 17 C10 UNL 1 -4.987 -5.250 3.551 1.00 0.00 C HETATM 18 O8 UNL 1 -6.103 -5.905 4.034 1.00 0.00 O HETATM 19 C11 UNL 1 -3.722 -5.561 4.068 1.00 0.00 C HETATM 20 O9 UNL 1 -3.645 -6.532 5.063 1.00 0.00 O HETATM 21 C12 UNL 1 -2.598 -4.947 3.629 1.00 0.00 C HETATM 22 O10 UNL 1 -1.378 -5.296 4.180 1.00 0.00 O HETATM 23 C13 UNL 1 -2.700 -3.976 2.631 1.00 0.00 C HETATM 24 C14 UNL 1 -1.346 0.616 -1.582 1.00 0.00 C HETATM 25 O11 UNL 1 -1.535 1.834 -1.163 1.00 0.00 O HETATM 26 C15 UNL 1 -1.847 3.029 -0.908 1.00 0.00 C HETATM 27 O12 UNL 1 -2.736 3.442 -1.812 1.00 0.00 O HETATM 28 C16 UNL 1 -1.478 4.006 0.096 1.00 0.00 C HETATM 29 C17 UNL 1 -0.563 3.691 1.063 1.00 0.00 C HETATM 30 C18 UNL 1 -0.206 4.563 2.050 1.00 0.00 C HETATM 31 O13 UNL 1 0.711 4.233 3.010 1.00 0.00 O HETATM 32 C19 UNL 1 -0.797 5.812 2.069 1.00 0.00 C HETATM 33 O14 UNL 1 -0.500 6.759 3.032 1.00 0.00 O HETATM 34 C20 UNL 1 -1.734 6.175 1.105 1.00 0.00 C HETATM 35 O15 UNL 1 -2.319 7.425 1.133 1.00 0.00 O HETATM 36 C21 UNL 1 -2.063 5.259 0.123 1.00 0.00 C HETATM 37 C22 UNL 1 4.532 0.039 -2.575 1.00 0.00 C HETATM 38 C23 UNL 1 5.236 -1.084 -2.848 1.00 0.00 C HETATM 39 C24 UNL 1 6.532 -1.084 -3.334 1.00 0.00 C HETATM 40 O16 UNL 1 7.168 -2.261 -3.583 1.00 0.00 O HETATM 41 C25 UNL 1 7.142 0.128 -3.550 1.00 0.00 C HETATM 42 O17 UNL 1 8.452 0.237 -4.037 1.00 0.00 O HETATM 43 C26 UNL 1 6.433 1.303 -3.274 1.00 0.00 C HETATM 44 O18 UNL 1 7.079 2.505 -3.503 1.00 0.00 O HETATM 45 C27 UNL 1 5.128 1.250 -2.787 1.00 0.00 C HETATM 46 H1 UNL 1 1.053 0.678 -0.287 1.00 0.00 H HETATM 47 H2 UNL 1 0.840 2.190 -1.175 1.00 0.00 H HETATM 48 H3 UNL 1 0.074 0.852 -3.153 1.00 0.00 H HETATM 49 H4 UNL 1 -1.168 -2.345 -1.662 1.00 0.00 H HETATM 50 H5 UNL 1 -0.238 -2.372 0.622 1.00 0.00 H HETATM 51 H6 UNL 1 -1.170 -0.557 1.417 1.00 0.00 H HETATM 52 H7 UNL 1 -3.573 -0.184 -0.186 1.00 0.00 H HETATM 53 H8 UNL 1 -3.191 -1.456 -1.359 1.00 0.00 H HETATM 54 H9 UNL 1 -6.017 -4.032 2.157 1.00 0.00 H HETATM 55 H10 UNL 1 -7.008 -5.655 3.638 1.00 0.00 H HETATM 56 H11 UNL 1 -4.470 -7.004 5.409 1.00 0.00 H HETATM 57 H12 UNL 1 -0.516 -4.851 3.872 1.00 0.00 H HETATM 58 H13 UNL 1 -1.790 -3.507 2.300 1.00 0.00 H HETATM 59 H14 UNL 1 -2.001 0.300 -2.482 1.00 0.00 H HETATM 60 H15 UNL 1 -0.071 2.703 1.072 1.00 0.00 H HETATM 61 H16 UNL 1 1.024 4.793 3.769 1.00 0.00 H HETATM 62 H17 UNL 1 0.135 6.663 3.789 1.00 0.00 H HETATM 63 H18 UNL 1 -2.992 7.760 0.485 1.00 0.00 H HETATM 64 H19 UNL 1 -2.773 5.496 -0.635 1.00 0.00 H HETATM 65 H20 UNL 1 4.774 -2.047 -2.686 1.00 0.00 H HETATM 66 H21 UNL 1 8.098 -2.347 -3.932 1.00 0.00 H HETATM 67 H22 UNL 1 8.989 -0.572 -4.243 1.00 0.00 H HETATM 68 H23 UNL 1 8.023 2.554 -3.855 1.00 0.00 H HETATM 69 H24 UNL 1 4.623 2.182 -2.591 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 37 CONECT 3 4 CONECT 4 5 46 47 CONECT 5 6 24 48 CONECT 6 7 CONECT 7 8 9 49 CONECT 8 50 CONECT 9 10 11 24 CONECT 10 51 CONECT 11 12 52 53 CONECT 12 13 CONECT 13 14 14 15 CONECT 15 16 16 23 CONECT 16 17 54 CONECT 17 18 19 19 CONECT 18 55 CONECT 19 20 21 CONECT 20 56 CONECT 21 22 23 23 CONECT 22 57 CONECT 23 58 CONECT 24 25 59 CONECT 25 26 CONECT 26 27 27 28 CONECT 28 29 29 36 CONECT 29 30 60 CONECT 30 31 32 32 CONECT 31 61 CONECT 32 33 34 CONECT 33 62 CONECT 34 35 36 36 CONECT 35 63 CONECT 36 64 CONECT 37 38 38 45 CONECT 38 39 65 CONECT 39 40 41 41 CONECT 40 66 CONECT 41 42 43 CONECT 42 67 CONECT 43 44 45 45 CONECT 44 68 CONECT 45 69 END