COMPND HMDB0014686 HETATM 1 C1 UNL 1 5.001 0.221 1.222 1.00 0.00 C HETATM 2 N1 UNL 1 4.300 0.019 -0.019 1.00 0.00 N HETATM 3 C2 UNL 1 5.032 -0.982 -0.777 1.00 0.00 C HETATM 4 C3 UNL 1 2.970 -0.485 0.268 1.00 0.00 C HETATM 5 C4 UNL 1 2.116 -0.747 -0.887 1.00 0.00 C HETATM 6 N2 UNL 1 2.339 -1.621 -1.925 1.00 0.00 N HETATM 7 N3 UNL 1 1.266 -1.633 -2.742 1.00 0.00 N HETATM 8 C5 UNL 1 0.366 -0.805 -2.273 1.00 0.00 C HETATM 9 N4 UNL 1 0.913 -0.271 -1.136 1.00 0.00 N HETATM 10 C6 UNL 1 0.272 0.713 -0.331 1.00 0.00 C HETATM 11 C7 UNL 1 1.157 1.626 0.154 1.00 0.00 C HETATM 12 C8 UNL 1 0.615 2.662 0.902 1.00 0.00 C HETATM 13 C9 UNL 1 -0.772 2.728 1.115 1.00 0.00 C HETATM 14 CL1 UNL 1 -1.497 4.007 2.049 1.00 0.00 CL HETATM 15 C10 UNL 1 -1.625 1.779 0.597 1.00 0.00 C HETATM 16 C11 UNL 1 -1.117 0.749 -0.135 1.00 0.00 C HETATM 17 C12 UNL 1 -2.131 -0.165 -0.632 1.00 0.00 C HETATM 18 C13 UNL 1 -3.269 -0.443 0.181 1.00 0.00 C HETATM 19 C14 UNL 1 -3.495 -0.120 1.469 1.00 0.00 C HETATM 20 C15 UNL 1 -4.673 -0.338 2.159 1.00 0.00 C HETATM 21 C16 UNL 1 -5.719 -0.933 1.515 1.00 0.00 C HETATM 22 C17 UNL 1 -5.558 -1.292 0.199 1.00 0.00 C HETATM 23 C18 UNL 1 -4.377 -1.061 -0.462 1.00 0.00 C HETATM 24 N5 UNL 1 -2.011 -0.699 -1.820 1.00 0.00 N HETATM 25 C19 UNL 1 -0.978 -0.567 -2.840 1.00 0.00 C HETATM 26 H1 UNL 1 4.225 0.447 1.995 1.00 0.00 H HETATM 27 H2 UNL 1 5.599 -0.669 1.471 1.00 0.00 H HETATM 28 H3 UNL 1 5.620 1.137 1.112 1.00 0.00 H HETATM 29 H4 UNL 1 4.904 -0.861 -1.870 1.00 0.00 H HETATM 30 H5 UNL 1 4.796 -2.004 -0.419 1.00 0.00 H HETATM 31 H6 UNL 1 6.106 -0.793 -0.566 1.00 0.00 H HETATM 32 H7 UNL 1 2.515 -0.146 1.194 1.00 0.00 H HETATM 33 H8 UNL 1 3.238 -1.563 0.616 1.00 0.00 H HETATM 34 H9 UNL 1 2.182 1.602 -0.070 1.00 0.00 H HETATM 35 H10 UNL 1 1.264 3.410 1.314 1.00 0.00 H HETATM 36 H11 UNL 1 -2.696 1.856 0.692 1.00 0.00 H HETATM 37 H12 UNL 1 -2.671 0.286 2.067 1.00 0.00 H HETATM 38 H13 UNL 1 -4.726 -0.029 3.190 1.00 0.00 H HETATM 39 H14 UNL 1 -6.630 -1.094 2.070 1.00 0.00 H HETATM 40 H15 UNL 1 -6.409 -1.763 -0.280 1.00 0.00 H HETATM 41 H16 UNL 1 -4.285 -1.355 -1.489 1.00 0.00 H HETATM 42 H17 UNL 1 -1.019 0.460 -3.212 1.00 0.00 H HETATM 43 H18 UNL 1 -1.139 -1.262 -3.667 1.00 0.00 H CONECT 1 2 26 27 28 CONECT 2 3 4 CONECT 3 29 30 31 CONECT 4 5 32 33 CONECT 5 6 6 9 CONECT 6 7 CONECT 7 8 8 CONECT 8 9 25 CONECT 9 10 CONECT 10 11 11 16 CONECT 11 12 34 CONECT 12 13 13 35 CONECT 13 14 15 CONECT 15 16 16 36 CONECT 16 17 CONECT 17 18 24 24 CONECT 18 19 19 23 CONECT 19 20 37 CONECT 20 21 21 38 CONECT 21 22 39 CONECT 22 23 23 40 CONECT 23 41 CONECT 24 25 CONECT 25 42 43 END