COMPND HMDB0249930 HETATM 1 O1 UNL 1 5.900 -1.897 -0.409 1.00 0.00 O HETATM 2 C1 UNL 1 5.309 -1.217 -1.263 1.00 0.00 C HETATM 3 C2 UNL 1 4.004 -0.666 -0.989 1.00 0.00 C HETATM 4 C3 UNL 1 3.446 -0.898 0.191 1.00 0.00 C HETATM 5 C4 UNL 1 2.155 -0.422 0.617 1.00 0.00 C HETATM 6 C5 UNL 1 1.384 0.340 -0.213 1.00 0.00 C HETATM 7 C6 UNL 1 0.147 0.786 0.221 1.00 0.00 C HETATM 8 C7 UNL 1 -0.369 0.496 1.481 1.00 0.00 C HETATM 9 C8 UNL 1 0.448 -0.281 2.291 1.00 0.00 C HETATM 10 C9 UNL 1 -0.236 -0.451 3.484 1.00 0.00 C HETATM 11 C10 UNL 1 -1.423 0.226 3.338 1.00 0.00 C HETATM 12 N1 UNL 1 -1.509 0.804 2.118 1.00 0.00 N HETATM 13 S1 UNL 1 -2.825 1.734 1.511 1.00 0.00 S HETATM 14 O2 UNL 1 -3.841 1.908 2.635 1.00 0.00 O HETATM 15 O3 UNL 1 -2.331 3.124 1.217 1.00 0.00 O HETATM 16 C11 UNL 1 -3.559 1.000 0.121 1.00 0.00 C HETATM 17 C12 UNL 1 -4.494 -0.011 0.251 1.00 0.00 C HETATM 18 C13 UNL 1 -5.101 -0.600 -0.839 1.00 0.00 C HETATM 19 C14 UNL 1 -4.786 -0.187 -2.112 1.00 0.00 C HETATM 20 C15 UNL 1 -3.863 0.814 -2.274 1.00 0.00 C HETATM 21 C16 UNL 1 -3.255 1.401 -1.158 1.00 0.00 C HETATM 22 C17 UNL 1 1.679 -0.726 1.863 1.00 0.00 C HETATM 23 N2 UNL 1 5.932 -0.987 -2.513 1.00 0.00 N HETATM 24 O4 UNL 1 7.156 -1.492 -2.797 1.00 0.00 O HETATM 25 H1 UNL 1 3.511 -0.082 -1.740 1.00 0.00 H HETATM 26 H2 UNL 1 4.004 -1.511 0.931 1.00 0.00 H HETATM 27 H3 UNL 1 1.730 0.595 -1.194 1.00 0.00 H HETATM 28 H4 UNL 1 -0.490 1.395 -0.403 1.00 0.00 H HETATM 29 H5 UNL 1 0.110 -1.008 4.348 1.00 0.00 H HETATM 30 H6 UNL 1 -2.216 0.313 4.075 1.00 0.00 H HETATM 31 H7 UNL 1 -4.761 -0.356 1.233 1.00 0.00 H HETATM 32 H8 UNL 1 -5.825 -1.385 -0.693 1.00 0.00 H HETATM 33 H9 UNL 1 -5.288 -0.676 -2.959 1.00 0.00 H HETATM 34 H10 UNL 1 -3.631 1.122 -3.283 1.00 0.00 H HETATM 35 H11 UNL 1 -2.536 2.188 -1.299 1.00 0.00 H HETATM 36 H12 UNL 1 2.280 -1.325 2.521 1.00 0.00 H HETATM 37 H13 UNL 1 5.454 -0.415 -3.255 1.00 0.00 H HETATM 38 H14 UNL 1 7.688 -1.650 -1.965 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 23 CONECT 3 4 4 25 CONECT 4 5 26 CONECT 5 6 6 22 CONECT 6 7 27 CONECT 7 8 8 28 CONECT 8 9 12 CONECT 9 10 22 22 CONECT 10 11 11 29 CONECT 11 12 30 CONECT 12 13 CONECT 13 14 14 15 15 CONECT 13 16 CONECT 16 17 17 21 CONECT 17 18 31 CONECT 18 19 19 32 CONECT 19 20 33 CONECT 20 21 21 34 CONECT 21 35 CONECT 22 36 CONECT 23 24 37 CONECT 24 38 END