COMPND HMDB0248386 HETATM 1 O1 UNL 1 6.335 -4.870 0.244 1.00 0.00 O HETATM 2 S1 UNL 1 6.906 -3.564 0.765 1.00 0.00 S HETATM 3 O2 UNL 1 8.175 -3.212 0.068 1.00 0.00 O HETATM 4 O3 UNL 1 7.185 -3.755 2.392 1.00 0.00 O HETATM 5 C1 UNL 1 5.713 -2.289 0.473 1.00 0.00 C HETATM 6 C2 UNL 1 4.379 -2.573 0.411 1.00 0.00 C HETATM 7 C3 UNL 1 3.473 -1.576 0.184 1.00 0.00 C HETATM 8 O4 UNL 1 2.120 -1.847 0.119 1.00 0.00 O HETATM 9 C4 UNL 1 3.849 -0.245 0.008 1.00 0.00 C HETATM 10 C5 UNL 1 2.918 0.750 -0.221 1.00 0.00 C HETATM 11 N1 UNL 1 1.555 0.348 -0.267 1.00 0.00 N HETATM 12 N2 UNL 1 0.610 1.098 0.134 1.00 0.00 N HETATM 13 C6 UNL 1 -0.746 0.662 0.073 1.00 0.00 C HETATM 14 C7 UNL 1 -1.386 0.345 1.242 1.00 0.00 C HETATM 15 C8 UNL 1 -2.684 -0.072 1.144 1.00 0.00 C HETATM 16 C9 UNL 1 -3.370 -0.181 -0.104 1.00 0.00 C HETATM 17 N3 UNL 1 -4.615 -0.805 -0.042 1.00 0.00 N HETATM 18 C10 UNL 1 -5.431 -0.563 1.101 1.00 0.00 C HETATM 19 C11 UNL 1 -6.389 -1.504 1.511 1.00 0.00 C HETATM 20 C12 UNL 1 -7.222 -1.317 2.567 1.00 0.00 C HETATM 21 C13 UNL 1 -7.142 -0.163 3.279 1.00 0.00 C HETATM 22 C14 UNL 1 -6.233 0.809 2.943 1.00 0.00 C HETATM 23 C15 UNL 1 -5.403 0.580 1.863 1.00 0.00 C HETATM 24 C16 UNL 1 -2.725 0.141 -1.247 1.00 0.00 C HETATM 25 C17 UNL 1 -3.359 0.096 -2.470 1.00 0.00 C HETATM 26 S2 UNL 1 -5.002 -0.336 -2.670 1.00 0.00 S HETATM 27 O5 UNL 1 -5.312 -1.740 -3.012 1.00 0.00 O HETATM 28 O6 UNL 1 -5.358 0.303 -4.081 1.00 0.00 O HETATM 29 O7 UNL 1 -6.129 0.514 -1.783 1.00 0.00 O HETATM 30 C18 UNL 1 -2.574 0.492 -3.575 1.00 0.00 C HETATM 31 C19 UNL 1 -1.269 0.901 -3.472 1.00 0.00 C HETATM 32 C20 UNL 1 -0.685 0.934 -2.234 1.00 0.00 C HETATM 33 C21 UNL 1 -1.399 0.564 -1.146 1.00 0.00 C HETATM 34 C22 UNL 1 3.338 2.031 -0.386 1.00 0.00 C HETATM 35 C23 UNL 1 4.673 2.339 -0.328 1.00 0.00 C HETATM 36 S3 UNL 1 5.284 3.964 -0.531 1.00 0.00 S HETATM 37 O8 UNL 1 6.647 3.918 -1.145 1.00 0.00 O HETATM 38 O9 UNL 1 4.352 4.758 -1.431 1.00 0.00 O HETATM 39 O10 UNL 1 5.359 4.734 0.957 1.00 0.00 O HETATM 40 C24 UNL 1 5.584 1.334 -0.099 1.00 0.00 C HETATM 41 C25 UNL 1 5.192 0.013 0.074 1.00 0.00 C HETATM 42 C26 UNL 1 6.115 -0.983 0.302 1.00 0.00 C HETATM 43 H1 UNL 1 7.820 -3.033 2.682 1.00 0.00 H HETATM 44 H2 UNL 1 4.013 -3.577 0.537 1.00 0.00 H HETATM 45 H3 UNL 1 1.804 -2.785 0.239 1.00 0.00 H HETATM 46 H4 UNL 1 -0.921 0.407 2.216 1.00 0.00 H HETATM 47 H5 UNL 1 -3.211 -0.354 2.042 1.00 0.00 H HETATM 48 H6 UNL 1 -4.941 -1.475 -0.685 1.00 0.00 H HETATM 49 H7 UNL 1 -6.419 -2.422 0.907 1.00 0.00 H HETATM 50 H8 UNL 1 -7.938 -2.108 2.812 1.00 0.00 H HETATM 51 H9 UNL 1 -7.809 -0.019 4.119 1.00 0.00 H HETATM 52 H10 UNL 1 -6.177 1.736 3.524 1.00 0.00 H HETATM 53 H11 UNL 1 -4.710 1.363 1.611 1.00 0.00 H HETATM 54 H12 UNL 1 -5.925 1.462 -1.876 1.00 0.00 H HETATM 55 H13 UNL 1 -3.028 0.467 -4.548 1.00 0.00 H HETATM 56 H14 UNL 1 -0.677 1.199 -4.321 1.00 0.00 H HETATM 57 H15 UNL 1 0.335 1.255 -2.158 1.00 0.00 H HETATM 58 H16 UNL 1 2.629 2.810 -0.563 1.00 0.00 H HETATM 59 H17 UNL 1 6.001 4.260 1.546 1.00 0.00 H HETATM 60 H18 UNL 1 6.655 1.527 -0.044 1.00 0.00 H HETATM 61 H19 UNL 1 7.169 -0.746 0.349 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 3 4 5 CONECT 4 43 CONECT 5 6 6 42 CONECT 6 7 44 CONECT 7 8 9 9 CONECT 8 45 CONECT 9 10 41 CONECT 10 11 34 34 CONECT 11 12 12 CONECT 12 13 CONECT 13 14 14 33 CONECT 14 15 46 CONECT 15 16 16 47 CONECT 16 17 24 CONECT 17 18 48 CONECT 18 19 19 23 CONECT 19 20 49 CONECT 20 21 21 50 CONECT 21 22 51 CONECT 22 23 23 52 CONECT 23 53 CONECT 24 25 25 33 CONECT 25 26 30 CONECT 26 27 27 28 28 CONECT 26 29 CONECT 29 54 CONECT 30 31 31 55 CONECT 31 32 56 CONECT 32 33 33 57 CONECT 34 35 58 CONECT 35 36 40 40 CONECT 36 37 37 38 38 CONECT 36 39 CONECT 39 59 CONECT 40 41 60 CONECT 41 42 42 CONECT 42 61 END