COMPND HMDB0060316 HETATM 1 C1 UNL 1 -4.237 -0.230 -3.175 1.00 0.00 C HETATM 2 C2 UNL 1 -3.987 0.343 -1.801 1.00 0.00 C HETATM 3 O1 UNL 1 -3.513 1.502 -1.784 1.00 0.00 O HETATM 4 O2 UNL 1 -4.235 -0.292 -0.669 1.00 0.00 O HETATM 5 C3 UNL 1 -4.123 -0.068 0.680 1.00 0.00 C HETATM 6 C4 UNL 1 -2.775 0.136 1.247 1.00 0.00 C HETATM 7 C5 UNL 1 -2.271 -0.692 2.163 1.00 0.00 C HETATM 8 C6 UNL 1 -2.987 -1.855 2.677 1.00 0.00 C HETATM 9 O3 UNL 1 -4.118 -2.169 2.311 1.00 0.00 O HETATM 10 O4 UNL 1 -2.338 -2.668 3.650 1.00 0.00 O HETATM 11 N1 UNL 1 -0.942 -0.455 2.676 1.00 0.00 N HETATM 12 C7 UNL 1 0.343 -0.979 2.941 1.00 0.00 C HETATM 13 O5 UNL 1 0.793 -2.140 3.071 1.00 0.00 O HETATM 14 C8 UNL 1 0.959 0.359 3.007 1.00 0.00 C HETATM 15 N2 UNL 1 1.567 0.740 1.775 1.00 0.00 N HETATM 16 C9 UNL 1 1.417 0.042 0.714 1.00 0.00 C HETATM 17 O6 UNL 1 0.668 -1.116 0.675 1.00 0.00 O HETATM 18 C10 UNL 1 2.072 0.467 -0.580 1.00 0.00 C HETATM 19 C11 UNL 1 3.018 -0.622 -1.043 1.00 0.00 C HETATM 20 C12 UNL 1 3.697 -0.263 -2.321 1.00 0.00 C HETATM 21 C13 UNL 1 4.510 0.978 -2.230 1.00 0.00 C HETATM 22 O7 UNL 1 3.912 2.071 -2.211 1.00 0.00 O HETATM 23 C14 UNL 1 5.952 0.943 -2.164 1.00 0.00 C HETATM 24 O8 UNL 1 6.547 -0.151 -2.180 1.00 0.00 O HETATM 25 O9 UNL 1 6.671 2.111 -2.083 1.00 0.00 O HETATM 26 C15 UNL 1 -0.477 0.798 3.228 1.00 0.00 C HETATM 27 S1 UNL 1 -1.035 2.108 2.143 1.00 0.00 S HETATM 28 C16 UNL 1 -1.959 1.323 0.806 1.00 0.00 C HETATM 29 H1 UNL 1 -3.700 0.327 -3.951 1.00 0.00 H HETATM 30 H2 UNL 1 -5.323 -0.173 -3.408 1.00 0.00 H HETATM 31 H3 UNL 1 -3.946 -1.292 -3.217 1.00 0.00 H HETATM 32 H4 UNL 1 -4.702 0.966 0.893 1.00 0.00 H HETATM 33 H5 UNL 1 -4.765 -0.738 1.218 1.00 0.00 H HETATM 34 H6 UNL 1 -1.998 -3.592 3.405 1.00 0.00 H HETATM 35 H7 UNL 1 1.563 0.552 3.924 1.00 0.00 H HETATM 36 H8 UNL 1 0.278 -1.518 -0.150 1.00 0.00 H HETATM 37 H9 UNL 1 2.616 1.412 -0.387 1.00 0.00 H HETATM 38 H10 UNL 1 1.287 0.566 -1.343 1.00 0.00 H HETATM 39 H11 UNL 1 2.493 -1.582 -1.158 1.00 0.00 H HETATM 40 H12 UNL 1 3.778 -0.757 -0.245 1.00 0.00 H HETATM 41 H13 UNL 1 2.950 -0.116 -3.127 1.00 0.00 H HETATM 42 H14 UNL 1 4.389 -1.088 -2.635 1.00 0.00 H HETATM 43 H15 UNL 1 6.822 2.628 -1.248 1.00 0.00 H HETATM 44 H16 UNL 1 -0.725 0.946 4.305 1.00 0.00 H HETATM 45 H17 UNL 1 -2.758 2.101 0.535 1.00 0.00 H HETATM 46 H18 UNL 1 -1.385 1.143 -0.100 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 32 33 CONECT 6 7 7 28 CONECT 7 8 11 CONECT 8 9 9 10 CONECT 10 34 CONECT 11 12 26 CONECT 12 13 13 14 CONECT 14 15 26 35 CONECT 15 16 16 CONECT 16 17 18 CONECT 17 36 CONECT 18 19 37 38 CONECT 19 20 39 40 CONECT 20 21 41 42 CONECT 21 22 22 23 CONECT 23 24 24 25 CONECT 25 43 CONECT 26 27 44 CONECT 27 28 CONECT 28 45 46 END