COMPND HMDB0060858 HETATM 1 C1 UNL 1 -2.798 -0.947 -2.470 1.00 0.00 C HETATM 2 N1 UNL 1 -2.604 -0.368 -1.151 1.00 0.00 N HETATM 3 C2 UNL 1 -1.392 0.379 -0.838 1.00 0.00 C HETATM 4 C3 UNL 1 -1.385 0.931 0.560 1.00 0.00 C HETATM 5 O1 UNL 1 -0.274 1.650 0.927 1.00 0.00 O HETATM 6 C4 UNL 1 1.039 1.317 1.054 1.00 0.00 C HETATM 7 C5 UNL 1 1.603 0.079 0.846 1.00 0.00 C HETATM 8 C6 UNL 1 2.967 -0.175 0.997 1.00 0.00 C HETATM 9 C7 UNL 1 3.815 0.836 1.372 1.00 0.00 C HETATM 10 C8 UNL 1 5.248 0.575 1.534 1.00 0.00 C HETATM 11 C9 UNL 1 6.020 0.797 0.241 1.00 0.00 C HETATM 12 S1 UNL 1 5.362 -0.343 -1.053 1.00 0.00 S HETATM 13 C10 UNL 1 6.580 -1.626 -0.831 1.00 0.00 C HETATM 14 O2 UNL 1 6.614 -2.704 -1.427 1.00 0.00 O HETATM 15 N2 UNL 1 7.464 -1.138 0.150 1.00 0.00 N HETATM 16 C11 UNL 1 7.398 0.248 0.347 1.00 0.00 C HETATM 17 O3 UNL 1 8.381 1.029 0.598 1.00 0.00 O HETATM 18 C12 UNL 1 3.285 2.081 1.588 1.00 0.00 C HETATM 19 C13 UNL 1 1.946 2.324 1.437 1.00 0.00 C HETATM 20 C14 UNL 1 -3.593 -0.515 -0.155 1.00 0.00 C HETATM 21 N3 UNL 1 -3.363 -1.362 0.885 1.00 0.00 N HETATM 22 C15 UNL 1 -4.225 -1.589 1.877 1.00 0.00 C HETATM 23 C16 UNL 1 -5.439 -0.936 1.875 1.00 0.00 C HETATM 24 C17 UNL 1 -5.729 -0.072 0.857 1.00 0.00 C HETATM 25 C18 UNL 1 -4.799 0.134 -0.155 1.00 0.00 C HETATM 26 O4 UNL 1 -5.139 1.009 -1.145 1.00 0.00 O HETATM 27 S2 UNL 1 -5.986 0.584 -2.536 1.00 0.00 S HETATM 28 O5 UNL 1 -5.174 0.809 -3.774 1.00 0.00 O HETATM 29 O6 UNL 1 -7.218 1.459 -2.626 1.00 0.00 O HETATM 30 O7 UNL 1 -6.455 -1.029 -2.400 1.00 0.00 O HETATM 31 H1 UNL 1 -2.692 -0.205 -3.266 1.00 0.00 H HETATM 32 H2 UNL 1 -1.982 -1.718 -2.624 1.00 0.00 H HETATM 33 H3 UNL 1 -3.773 -1.446 -2.516 1.00 0.00 H HETATM 34 H4 UNL 1 -1.400 1.242 -1.585 1.00 0.00 H HETATM 35 H5 UNL 1 -0.514 -0.209 -1.120 1.00 0.00 H HETATM 36 H6 UNL 1 -1.656 0.139 1.297 1.00 0.00 H HETATM 37 H7 UNL 1 -2.270 1.637 0.600 1.00 0.00 H HETATM 38 H8 UNL 1 0.959 -0.730 0.566 1.00 0.00 H HETATM 39 H9 UNL 1 3.353 -1.189 0.815 1.00 0.00 H HETATM 40 H10 UNL 1 5.386 -0.470 1.849 1.00 0.00 H HETATM 41 H11 UNL 1 5.647 1.293 2.272 1.00 0.00 H HETATM 42 H12 UNL 1 6.015 1.831 -0.098 1.00 0.00 H HETATM 43 H13 UNL 1 8.124 -1.762 0.695 1.00 0.00 H HETATM 44 H14 UNL 1 3.973 2.880 1.887 1.00 0.00 H HETATM 45 H15 UNL 1 1.565 3.309 1.614 1.00 0.00 H HETATM 46 H16 UNL 1 -3.981 -2.285 2.688 1.00 0.00 H HETATM 47 H17 UNL 1 -6.142 -1.119 2.682 1.00 0.00 H HETATM 48 H18 UNL 1 -6.671 0.449 0.837 1.00 0.00 H HETATM 49 H19 UNL 1 -6.091 -1.530 -3.175 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 20 CONECT 3 4 34 35 CONECT 4 5 36 37 CONECT 5 6 CONECT 6 7 7 19 CONECT 7 8 38 CONECT 8 9 9 39 CONECT 9 10 18 CONECT 10 11 40 41 CONECT 11 12 16 42 CONECT 12 13 CONECT 13 14 14 15 CONECT 15 16 43 CONECT 16 17 17 CONECT 18 19 19 44 CONECT 19 45 CONECT 20 21 21 25 CONECT 21 22 CONECT 22 23 23 46 CONECT 23 24 47 CONECT 24 25 25 48 CONECT 25 26 CONECT 26 27 CONECT 27 28 28 29 29 CONECT 27 30 CONECT 30 49 END