COMPND HMDB0244337 HETATM 1 C1 UNL 1 -2.202 3.448 1.046 1.00 0.00 C HETATM 2 O1 UNL 1 -1.244 2.415 0.916 1.00 0.00 O HETATM 3 C2 UNL 1 -1.620 1.139 0.482 1.00 0.00 C HETATM 4 C3 UNL 1 -0.670 0.125 0.355 1.00 0.00 C HETATM 5 C4 UNL 1 -1.040 -1.119 -0.069 1.00 0.00 C HETATM 6 N1 UNL 1 -0.130 -2.189 -0.195 1.00 0.00 N HETATM 7 S1 UNL 1 1.311 -2.141 -1.121 1.00 0.00 S HETATM 8 O2 UNL 1 1.955 -3.509 -1.146 1.00 0.00 O HETATM 9 O3 UNL 1 0.932 -1.876 -2.578 1.00 0.00 O HETATM 10 C5 UNL 1 2.389 -0.929 -0.534 1.00 0.00 C HETATM 11 C6 UNL 1 2.552 0.331 -1.104 1.00 0.00 C HETATM 12 C7 UNL 1 3.428 1.266 -0.596 1.00 0.00 C HETATM 13 C8 UNL 1 4.173 0.945 0.519 1.00 0.00 C HETATM 14 C9 UNL 1 5.129 1.952 1.081 1.00 0.00 C HETATM 15 C10 UNL 1 4.045 -0.284 1.113 1.00 0.00 C HETATM 16 C11 UNL 1 3.155 -1.205 0.580 1.00 0.00 C HETATM 17 C12 UNL 1 -2.366 -1.388 -0.379 1.00 0.00 C HETATM 18 N2 UNL 1 -2.723 -2.613 -0.796 1.00 0.00 N HETATM 19 C13 UNL 1 -3.985 -2.942 -1.112 1.00 0.00 C HETATM 20 C14 UNL 1 -4.938 -1.951 -0.993 1.00 0.00 C HETATM 21 C15 UNL 1 -4.633 -0.688 -0.575 1.00 0.00 C HETATM 22 C16 UNL 1 -3.325 -0.387 -0.259 1.00 0.00 C HETATM 23 C17 UNL 1 -2.928 0.859 0.171 1.00 0.00 C HETATM 24 H1 UNL 1 -3.018 3.049 1.688 1.00 0.00 H HETATM 25 H2 UNL 1 -1.707 4.282 1.585 1.00 0.00 H HETATM 26 H3 UNL 1 -2.558 3.806 0.076 1.00 0.00 H HETATM 27 H4 UNL 1 0.345 0.367 0.619 1.00 0.00 H HETATM 28 H5 UNL 1 -0.324 -3.114 0.314 1.00 0.00 H HETATM 29 H6 UNL 1 1.952 0.538 -1.971 1.00 0.00 H HETATM 30 H7 UNL 1 3.541 2.255 -1.063 1.00 0.00 H HETATM 31 H8 UNL 1 5.881 1.430 1.698 1.00 0.00 H HETATM 32 H9 UNL 1 4.600 2.738 1.650 1.00 0.00 H HETATM 33 H10 UNL 1 5.590 2.455 0.202 1.00 0.00 H HETATM 34 H11 UNL 1 4.652 -0.480 1.983 1.00 0.00 H HETATM 35 H12 UNL 1 3.065 -2.182 1.068 1.00 0.00 H HETATM 36 H13 UNL 1 -4.265 -3.941 -1.450 1.00 0.00 H HETATM 37 H14 UNL 1 -5.954 -2.202 -1.243 1.00 0.00 H HETATM 38 H15 UNL 1 -5.358 0.109 -0.471 1.00 0.00 H HETATM 39 H16 UNL 1 -3.703 1.630 0.257 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 CONECT 3 4 4 23 CONECT 4 5 27 CONECT 5 6 17 17 CONECT 6 7 28 CONECT 7 8 8 9 9 CONECT 7 10 CONECT 10 11 11 16 CONECT 11 12 29 CONECT 12 13 13 30 CONECT 13 14 15 CONECT 14 31 32 33 CONECT 15 16 16 34 CONECT 16 35 CONECT 17 18 22 CONECT 18 19 19 CONECT 19 20 36 CONECT 20 21 21 37 CONECT 21 22 38 CONECT 22 23 23 CONECT 23 39 END