COMPND HMDB0033513 HETATM 1 N1 UNL 1 -2.020 0.194 -3.167 1.00 0.00 N HETATM 2 C1 UNL 1 -1.864 -0.279 -1.989 1.00 0.00 C HETATM 3 N2 UNL 1 -0.950 -1.306 -1.561 1.00 0.00 N HETATM 4 C2 UNL 1 -0.872 -1.294 -0.095 1.00 0.00 C HETATM 5 C3 UNL 1 0.515 -0.631 0.196 1.00 0.00 C HETATM 6 C4 UNL 1 1.563 -1.457 -0.383 1.00 0.00 C HETATM 7 O1 UNL 1 2.882 -1.072 -0.431 1.00 0.00 O HETATM 8 C5 UNL 1 3.280 0.277 -0.728 1.00 0.00 C HETATM 9 O2 UNL 1 2.225 1.021 -0.835 1.00 0.00 O HETATM 10 N3 UNL 1 4.489 0.753 -0.855 1.00 0.00 N HETATM 11 S1 UNL 1 6.032 1.410 -1.026 1.00 0.00 S HETATM 12 O3 UNL 1 6.996 0.528 -1.747 1.00 0.00 O HETATM 13 O4 UNL 1 5.997 2.702 -1.896 1.00 0.00 O HETATM 14 O5 UNL 1 6.601 1.959 0.456 1.00 0.00 O HETATM 15 N4 UNL 1 0.602 -0.303 1.595 1.00 0.00 N HETATM 16 C6 UNL 1 -0.472 0.580 2.030 1.00 0.00 C HETATM 17 N5 UNL 1 -0.216 1.339 3.067 1.00 0.00 N HETATM 18 N6 UNL 1 -1.666 0.559 1.342 1.00 0.00 N HETATM 19 C7 UNL 1 -2.878 1.329 1.404 1.00 0.00 C HETATM 20 C8 UNL 1 -3.937 0.201 1.417 1.00 0.00 C HETATM 21 C9 UNL 1 -3.132 -1.081 1.098 1.00 0.00 C HETATM 22 O6 UNL 1 -3.857 -1.982 0.378 1.00 0.00 O HETATM 23 O7 UNL 1 -2.698 -1.559 2.341 1.00 0.00 O HETATM 24 C10 UNL 1 -1.979 -0.423 0.317 1.00 0.00 C HETATM 25 N7 UNL 1 -2.619 0.114 -0.860 1.00 0.00 N HETATM 26 H1 UNL 1 -2.717 0.933 -3.358 1.00 0.00 H HETATM 27 H2 UNL 1 -0.471 -1.880 -2.281 1.00 0.00 H HETATM 28 H3 UNL 1 -0.879 -2.324 0.228 1.00 0.00 H HETATM 29 H4 UNL 1 0.340 0.338 -0.364 1.00 0.00 H HETATM 30 H5 UNL 1 1.205 -1.952 -1.307 1.00 0.00 H HETATM 31 H6 UNL 1 1.597 -2.402 0.318 1.00 0.00 H HETATM 32 H7 UNL 1 3.964 2.029 -0.847 1.00 0.00 H HETATM 33 H8 UNL 1 6.926 1.259 1.068 1.00 0.00 H HETATM 34 H9 UNL 1 1.336 -0.616 2.262 1.00 0.00 H HETATM 35 H10 UNL 1 0.692 1.305 3.531 1.00 0.00 H HETATM 36 H11 UNL 1 -2.991 1.914 0.496 1.00 0.00 H HETATM 37 H12 UNL 1 -2.942 1.974 2.324 1.00 0.00 H HETATM 38 H13 UNL 1 -4.326 0.188 2.438 1.00 0.00 H HETATM 39 H14 UNL 1 -4.680 0.341 0.638 1.00 0.00 H HETATM 40 H15 UNL 1 -3.194 -2.533 -0.133 1.00 0.00 H HETATM 41 H16 UNL 1 -2.384 -0.859 2.963 1.00 0.00 H HETATM 42 H17 UNL 1 -3.496 0.705 -0.942 1.00 0.00 H CONECT 1 2 2 26 CONECT 2 3 25 CONECT 3 4 27 CONECT 4 5 24 28 CONECT 5 6 15 29 CONECT 6 7 30 31 CONECT 7 8 CONECT 8 9 9 10 CONECT 10 11 32 CONECT 11 12 12 13 13 CONECT 11 14 CONECT 14 33 CONECT 15 16 34 CONECT 16 17 17 18 CONECT 17 35 CONECT 18 19 24 CONECT 19 20 36 37 CONECT 20 21 38 39 CONECT 21 22 23 24 CONECT 22 40 CONECT 23 41 CONECT 24 25 CONECT 25 42 END