COMPND HMDB0015527 HETATM 1 O1 UNL 1 2.784 0.662 -2.282 1.00 0.00 O HETATM 2 C1 UNL 1 1.745 0.109 -1.871 1.00 0.00 C HETATM 3 C2 UNL 1 0.556 0.176 -2.767 1.00 0.00 C HETATM 4 N1 UNL 1 -0.687 0.425 -2.058 1.00 0.00 N HETATM 5 C3 UNL 1 -1.175 -0.065 -0.955 1.00 0.00 C HETATM 6 C4 UNL 1 -2.443 0.357 -0.451 1.00 0.00 C HETATM 7 C5 UNL 1 -3.252 1.189 -1.242 1.00 0.00 C HETATM 8 C6 UNL 1 -4.421 1.752 -0.803 1.00 0.00 C HETATM 9 C7 UNL 1 -4.859 1.516 0.470 1.00 0.00 C HETATM 10 C8 UNL 1 -4.108 0.712 1.290 1.00 0.00 C HETATM 11 C9 UNL 1 -2.907 0.146 0.812 1.00 0.00 C HETATM 12 C10 UNL 1 -0.512 -1.150 -0.241 1.00 0.00 C HETATM 13 C11 UNL 1 -1.379 -2.086 0.288 1.00 0.00 C HETATM 14 C12 UNL 1 -0.873 -3.136 1.021 1.00 0.00 C HETATM 15 CL1 UNL 1 -2.002 -4.299 1.685 1.00 0.00 CL HETATM 16 C13 UNL 1 0.486 -3.278 1.238 1.00 0.00 C HETATM 17 C14 UNL 1 1.384 -2.353 0.712 1.00 0.00 C HETATM 18 C15 UNL 1 0.858 -1.323 -0.010 1.00 0.00 C HETATM 19 N2 UNL 1 1.902 -0.507 -0.570 1.00 0.00 N HETATM 20 C16 UNL 1 3.088 -0.295 0.168 1.00 0.00 C HETATM 21 C17 UNL 1 3.039 0.865 1.132 1.00 0.00 C HETATM 22 C18 UNL 1 2.792 2.274 0.708 1.00 0.00 C HETATM 23 C19 UNL 1 4.119 1.847 1.217 1.00 0.00 C HETATM 24 H1 UNL 1 0.468 -0.813 -3.255 1.00 0.00 H HETATM 25 H2 UNL 1 0.735 0.929 -3.549 1.00 0.00 H HETATM 26 H3 UNL 1 -2.904 1.370 -2.241 1.00 0.00 H HETATM 27 H4 UNL 1 -5.007 2.387 -1.459 1.00 0.00 H HETATM 28 H5 UNL 1 -5.784 1.950 0.842 1.00 0.00 H HETATM 29 H6 UNL 1 -4.448 0.521 2.299 1.00 0.00 H HETATM 30 H7 UNL 1 -2.338 -0.426 1.548 1.00 0.00 H HETATM 31 H8 UNL 1 -2.449 -1.981 0.053 1.00 0.00 H HETATM 32 H9 UNL 1 0.894 -4.090 1.809 1.00 0.00 H HETATM 33 H10 UNL 1 2.431 -2.412 0.848 1.00 0.00 H HETATM 34 H11 UNL 1 3.690 -1.130 0.500 1.00 0.00 H HETATM 35 H12 UNL 1 3.810 0.132 -0.646 1.00 0.00 H HETATM 36 H13 UNL 1 2.487 0.601 2.087 1.00 0.00 H HETATM 37 H14 UNL 1 2.135 2.933 1.317 1.00 0.00 H HETATM 38 H15 UNL 1 2.730 2.516 -0.362 1.00 0.00 H HETATM 39 H16 UNL 1 4.960 1.729 0.508 1.00 0.00 H HETATM 40 H17 UNL 1 4.457 2.245 2.208 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 19 CONECT 3 4 24 25 CONECT 4 5 5 CONECT 5 6 12 CONECT 6 7 7 11 CONECT 7 8 26 CONECT 8 9 9 27 CONECT 9 10 28 CONECT 10 11 11 29 CONECT 11 30 CONECT 12 13 13 18 CONECT 13 14 31 CONECT 14 15 16 16 CONECT 16 17 32 CONECT 17 18 18 33 CONECT 18 19 CONECT 19 20 CONECT 20 21 34 35 CONECT 21 22 23 36 CONECT 22 23 37 38 CONECT 23 39 40 END