COMPND HMDB0029565 HETATM 1 C1 UNL 1 -1.508 4.092 1.611 1.00 0.00 C HETATM 2 C2 UNL 1 -1.328 3.082 0.533 1.00 0.00 C HETATM 3 C3 UNL 1 -1.353 3.527 -0.888 1.00 0.00 C HETATM 4 C4 UNL 1 -1.145 1.797 0.808 1.00 0.00 C HETATM 5 C5 UNL 1 -0.969 0.818 -0.272 1.00 0.00 C HETATM 6 C6 UNL 1 -1.673 -0.478 0.004 1.00 0.00 C HETATM 7 N1 UNL 1 -2.900 -0.664 0.525 1.00 0.00 N HETATM 8 C7 UNL 1 -3.161 -1.997 0.610 1.00 0.00 C HETATM 9 C8 UNL 1 -4.258 -2.697 1.065 1.00 0.00 C HETATM 10 C9 UNL 1 -4.271 -4.075 1.043 1.00 0.00 C HETATM 11 C10 UNL 1 -3.161 -4.725 0.555 1.00 0.00 C HETATM 12 C11 UNL 1 -2.074 -4.010 0.104 1.00 0.00 C HETATM 13 C12 UNL 1 -2.042 -2.635 0.118 1.00 0.00 C HETATM 14 C13 UNL 1 -1.094 -1.698 -0.269 1.00 0.00 C HETATM 15 C14 UNL 1 0.259 -1.855 -0.851 1.00 0.00 C HETATM 16 C15 UNL 1 0.710 -0.534 -1.474 1.00 0.00 C HETATM 17 C16 UNL 1 2.117 -0.630 -1.885 1.00 0.00 C HETATM 18 O1 UNL 1 2.397 -1.315 -2.907 1.00 0.00 O HETATM 19 N2 UNL 1 3.173 0.002 -1.200 1.00 0.00 N HETATM 20 C17 UNL 1 4.601 -0.203 -1.046 1.00 0.00 C HETATM 21 C18 UNL 1 4.735 -0.010 0.468 1.00 0.00 C HETATM 22 C19 UNL 1 3.920 1.250 0.670 1.00 0.00 C HETATM 23 C20 UNL 1 2.874 1.176 -0.406 1.00 0.00 C HETATM 24 C21 UNL 1 1.499 1.148 0.134 1.00 0.00 C HETATM 25 O2 UNL 1 1.269 1.728 1.220 1.00 0.00 O HETATM 26 N3 UNL 1 0.431 0.494 -0.521 1.00 0.00 N HETATM 27 H1 UNL 1 -2.582 4.303 1.778 1.00 0.00 H HETATM 28 H2 UNL 1 -1.075 3.683 2.543 1.00 0.00 H HETATM 29 H3 UNL 1 -1.014 5.053 1.338 1.00 0.00 H HETATM 30 H4 UNL 1 -2.220 3.081 -1.437 1.00 0.00 H HETATM 31 H5 UNL 1 -1.439 4.609 -0.976 1.00 0.00 H HETATM 32 H6 UNL 1 -0.420 3.179 -1.380 1.00 0.00 H HETATM 33 H7 UNL 1 -1.131 1.502 1.848 1.00 0.00 H HETATM 34 H8 UNL 1 -1.407 1.203 -1.230 1.00 0.00 H HETATM 35 H9 UNL 1 -3.596 0.048 0.837 1.00 0.00 H HETATM 36 H10 UNL 1 -5.143 -2.210 1.453 1.00 0.00 H HETATM 37 H11 UNL 1 -5.148 -4.640 1.407 1.00 0.00 H HETATM 38 H12 UNL 1 -3.106 -5.793 0.510 1.00 0.00 H HETATM 39 H13 UNL 1 -1.181 -4.500 -0.288 1.00 0.00 H HETATM 40 H14 UNL 1 0.982 -2.221 -0.111 1.00 0.00 H HETATM 41 H15 UNL 1 0.250 -2.590 -1.683 1.00 0.00 H HETATM 42 H16 UNL 1 0.029 -0.393 -2.358 1.00 0.00 H HETATM 43 H17 UNL 1 4.926 -1.208 -1.361 1.00 0.00 H HETATM 44 H18 UNL 1 5.198 0.566 -1.559 1.00 0.00 H HETATM 45 H19 UNL 1 4.178 -0.843 0.941 1.00 0.00 H HETATM 46 H20 UNL 1 5.772 0.085 0.781 1.00 0.00 H HETATM 47 H21 UNL 1 4.621 2.107 0.540 1.00 0.00 H HETATM 48 H22 UNL 1 3.485 1.296 1.689 1.00 0.00 H HETATM 49 H23 UNL 1 2.972 2.093 -1.032 1.00 0.00 H CONECT 1 2 27 28 29 CONECT 2 3 4 4 CONECT 3 30 31 32 CONECT 4 5 33 CONECT 5 6 26 34 CONECT 6 7 14 14 CONECT 7 8 35 CONECT 8 9 9 13 CONECT 9 10 36 CONECT 10 11 11 37 CONECT 11 12 38 CONECT 12 13 13 39 CONECT 13 14 CONECT 14 15 CONECT 15 16 40 41 CONECT 16 17 26 42 CONECT 17 18 18 19 CONECT 19 20 23 CONECT 20 21 43 44 CONECT 21 22 45 46 CONECT 22 23 47 48 CONECT 23 24 49 CONECT 24 25 25 26 END