COMPND HMDB0015346 HETATM 1 CL1 UNL 1 0.485 4.014 1.905 1.00 0.00 CL HETATM 2 C1 UNL 1 -0.446 2.659 1.292 1.00 0.00 C HETATM 3 C2 UNL 1 -1.832 2.737 1.162 1.00 0.00 C HETATM 4 C3 UNL 1 -2.570 1.660 0.671 1.00 0.00 C HETATM 5 C4 UNL 1 -1.874 0.543 0.329 1.00 0.00 C HETATM 6 C5 UNL 1 -0.490 0.466 0.453 1.00 0.00 C HETATM 7 C6 UNL 1 0.239 1.524 0.942 1.00 0.00 C HETATM 8 C7 UNL 1 0.372 -0.634 0.074 1.00 0.00 C HETATM 9 C8 UNL 1 1.686 -0.382 -0.480 1.00 0.00 C HETATM 10 C9 UNL 1 2.226 0.793 -0.873 1.00 0.00 C HETATM 11 C10 UNL 1 3.543 0.880 -1.286 1.00 0.00 C HETATM 12 C11 UNL 1 4.364 -0.221 -1.321 1.00 0.00 C HETATM 13 C12 UNL 1 3.840 -1.426 -0.930 1.00 0.00 C HETATM 14 C13 UNL 1 2.546 -1.498 -0.525 1.00 0.00 C HETATM 15 N1 UNL 1 0.006 -1.877 0.221 1.00 0.00 N HETATM 16 C14 UNL 1 -1.218 -2.465 0.732 1.00 0.00 C HETATM 17 C15 UNL 1 -2.423 -1.838 0.153 1.00 0.00 C HETATM 18 N2 UNL 1 -3.482 -2.498 -0.305 1.00 0.00 N HETATM 19 N3 UNL 1 -4.405 -1.611 -0.765 1.00 0.00 N HETATM 20 C16 UNL 1 -3.921 -0.368 -0.596 1.00 0.00 C HETATM 21 N4 UNL 1 -2.737 -0.528 -0.046 1.00 0.00 N HETATM 22 H1 UNL 1 -2.341 3.639 1.442 1.00 0.00 H HETATM 23 H2 UNL 1 -3.629 1.677 0.561 1.00 0.00 H HETATM 24 H3 UNL 1 1.311 1.436 1.106 1.00 0.00 H HETATM 25 H4 UNL 1 1.604 1.699 -0.941 1.00 0.00 H HETATM 26 H5 UNL 1 3.950 1.858 -1.598 1.00 0.00 H HETATM 27 H6 UNL 1 5.407 -0.132 -1.652 1.00 0.00 H HETATM 28 H7 UNL 1 4.475 -2.329 -0.949 1.00 0.00 H HETATM 29 H8 UNL 1 2.170 -2.473 -0.224 1.00 0.00 H HETATM 30 H9 UNL 1 -1.218 -3.535 0.487 1.00 0.00 H HETATM 31 H10 UNL 1 -1.221 -2.315 1.822 1.00 0.00 H HETATM 32 H11 UNL 1 -4.416 0.546 -0.859 1.00 0.00 H CONECT 1 2 CONECT 2 3 3 7 CONECT 3 4 22 CONECT 4 5 5 23 CONECT 5 6 21 CONECT 6 7 7 8 CONECT 7 24 CONECT 8 9 15 15 CONECT 9 10 10 14 CONECT 10 11 25 CONECT 11 12 12 26 CONECT 12 13 27 CONECT 13 14 14 28 CONECT 14 29 CONECT 15 16 CONECT 16 17 30 31 CONECT 17 18 18 21 CONECT 18 19 CONECT 19 20 20 CONECT 20 21 32 END