COMPND HMDB0029089 HETATM 1 C1 UNL 1 -6.166 -1.865 -1.626 1.00 0.00 C HETATM 2 S1 UNL 1 -5.615 -0.434 -2.564 1.00 0.00 S HETATM 3 C2 UNL 1 -4.776 0.797 -1.508 1.00 0.00 C HETATM 4 C3 UNL 1 -3.488 0.258 -0.966 1.00 0.00 C HETATM 5 C4 UNL 1 -2.785 1.302 -0.145 1.00 0.00 C HETATM 6 N1 UNL 1 -1.522 0.772 0.364 1.00 0.00 N HETATM 7 C5 UNL 1 -0.334 1.422 -0.006 1.00 0.00 C HETATM 8 O1 UNL 1 -0.333 2.438 -0.758 1.00 0.00 O HETATM 9 C6 UNL 1 1.015 0.963 0.459 1.00 0.00 C HETATM 10 N2 UNL 1 2.078 1.775 -0.028 1.00 0.00 N HETATM 11 C7 UNL 1 1.188 -0.514 0.245 1.00 0.00 C HETATM 12 C8 UNL 1 2.518 -0.994 0.695 1.00 0.00 C HETATM 13 C9 UNL 1 2.795 -1.648 1.904 1.00 0.00 C HETATM 14 N3 UNL 1 4.098 -1.907 1.961 1.00 0.00 N HETATM 15 C10 UNL 1 4.734 -1.472 0.865 1.00 0.00 C HETATM 16 C11 UNL 1 6.054 -1.518 0.485 1.00 0.00 C HETATM 17 C12 UNL 1 6.426 -0.982 -0.725 1.00 0.00 C HETATM 18 C13 UNL 1 5.463 -0.412 -1.525 1.00 0.00 C HETATM 19 C14 UNL 1 4.138 -0.375 -1.126 1.00 0.00 C HETATM 20 C15 UNL 1 3.741 -0.896 0.065 1.00 0.00 C HETATM 21 C16 UNL 1 -3.625 1.718 0.993 1.00 0.00 C HETATM 22 O2 UNL 1 -3.164 1.447 2.167 1.00 0.00 O HETATM 23 O3 UNL 1 -4.833 2.363 0.941 1.00 0.00 O HETATM 24 H1 UNL 1 -5.987 -1.642 -0.543 1.00 0.00 H HETATM 25 H2 UNL 1 -7.248 -2.012 -1.842 1.00 0.00 H HETATM 26 H3 UNL 1 -5.558 -2.737 -1.969 1.00 0.00 H HETATM 27 H4 UNL 1 -4.551 1.669 -2.148 1.00 0.00 H HETATM 28 H5 UNL 1 -5.451 1.040 -0.643 1.00 0.00 H HETATM 29 H6 UNL 1 -2.824 -0.091 -1.814 1.00 0.00 H HETATM 30 H7 UNL 1 -3.685 -0.672 -0.372 1.00 0.00 H HETATM 31 H8 UNL 1 -2.625 2.184 -0.787 1.00 0.00 H HETATM 32 H9 UNL 1 -1.512 -0.050 0.972 1.00 0.00 H HETATM 33 H10 UNL 1 0.976 1.118 1.580 1.00 0.00 H HETATM 34 H11 UNL 1 1.961 2.124 -1.004 1.00 0.00 H HETATM 35 H12 UNL 1 2.321 2.522 0.650 1.00 0.00 H HETATM 36 H13 UNL 1 0.406 -1.042 0.812 1.00 0.00 H HETATM 37 H14 UNL 1 1.025 -0.757 -0.827 1.00 0.00 H HETATM 38 H15 UNL 1 2.044 -1.878 2.626 1.00 0.00 H HETATM 39 H16 UNL 1 4.554 -2.395 2.774 1.00 0.00 H HETATM 40 H17 UNL 1 6.813 -1.962 1.107 1.00 0.00 H HETATM 41 H18 UNL 1 7.480 -1.006 -1.056 1.00 0.00 H HETATM 42 H19 UNL 1 5.740 0.010 -2.473 1.00 0.00 H HETATM 43 H20 UNL 1 3.373 0.074 -1.767 1.00 0.00 H HETATM 44 H21 UNL 1 -4.858 3.262 0.455 1.00 0.00 H CONECT 1 2 24 25 26 CONECT 2 3 CONECT 3 4 27 28 CONECT 4 5 29 30 CONECT 5 6 21 31 CONECT 6 7 32 CONECT 7 8 8 9 CONECT 9 10 11 33 CONECT 10 34 35 CONECT 11 12 36 37 CONECT 12 13 13 20 CONECT 13 14 38 CONECT 14 15 39 CONECT 15 16 16 20 CONECT 16 17 40 CONECT 17 18 18 41 CONECT 18 19 42 CONECT 19 20 20 43 CONECT 21 22 22 23 CONECT 23 44 END