COMPND HMDB0304849 HETATM 1 C1 UNL 1 8.315 -0.701 -0.531 1.00 0.00 C HETATM 2 O1 UNL 1 7.074 -1.085 -1.055 1.00 0.00 O HETATM 3 C2 UNL 1 5.862 -0.647 -0.471 1.00 0.00 C HETATM 4 O2 UNL 1 6.011 0.088 0.521 1.00 0.00 O HETATM 5 N1 UNL 1 4.626 -1.025 -0.986 1.00 0.00 N HETATM 6 C3 UNL 1 3.339 -0.692 -0.563 1.00 0.00 C HETATM 7 C4 UNL 1 2.968 0.468 0.066 1.00 0.00 C HETATM 8 N2 UNL 1 3.897 1.520 0.271 1.00 0.00 N HETATM 9 N3 UNL 1 1.667 0.635 0.472 1.00 0.00 N HETATM 10 C5 UNL 1 0.732 -0.285 0.283 1.00 0.00 C HETATM 11 C6 UNL 1 -0.630 -0.082 0.723 1.00 0.00 C HETATM 12 N4 UNL 1 -1.656 -0.945 0.587 1.00 0.00 N HETATM 13 N5 UNL 1 -2.764 -0.438 1.102 1.00 0.00 N HETATM 14 C7 UNL 1 -4.087 -1.028 1.169 1.00 0.00 C HETATM 15 C8 UNL 1 -4.874 -0.671 -0.038 1.00 0.00 C HETATM 16 C9 UNL 1 -5.855 0.287 0.040 1.00 0.00 C HETATM 17 C10 UNL 1 -6.586 0.621 -1.073 1.00 0.00 C HETATM 18 C11 UNL 1 -6.350 0.008 -2.273 1.00 0.00 C HETATM 19 C12 UNL 1 -5.372 -0.953 -2.369 1.00 0.00 C HETATM 20 C13 UNL 1 -4.648 -1.278 -1.249 1.00 0.00 C HETATM 21 F1 UNL 1 -3.691 -2.234 -1.391 1.00 0.00 F HETATM 22 C14 UNL 1 -2.442 0.797 1.588 1.00 0.00 C HETATM 23 N6 UNL 1 -3.172 1.747 2.210 1.00 0.00 N HETATM 24 C15 UNL 1 -2.603 2.908 2.599 1.00 0.00 C HETATM 25 C16 UNL 1 -1.268 3.190 2.389 1.00 0.00 C HETATM 26 F2 UNL 1 -0.760 4.375 2.804 1.00 0.00 F HETATM 27 C17 UNL 1 -0.491 2.232 1.751 1.00 0.00 C HETATM 28 C18 UNL 1 -1.105 1.056 1.367 1.00 0.00 C HETATM 29 N7 UNL 1 1.091 -1.419 -0.333 1.00 0.00 N HETATM 30 C19 UNL 1 2.330 -1.658 -0.756 1.00 0.00 C HETATM 31 N8 UNL 1 2.651 -2.883 -1.405 1.00 0.00 N HETATM 32 H1 UNL 1 8.956 -1.601 -0.441 1.00 0.00 H HETATM 33 H2 UNL 1 8.152 -0.278 0.491 1.00 0.00 H HETATM 34 H3 UNL 1 8.836 0.075 -1.123 1.00 0.00 H HETATM 35 H4 UNL 1 4.663 -1.674 -1.851 1.00 0.00 H HETATM 36 H5 UNL 1 4.087 1.849 1.240 1.00 0.00 H HETATM 37 H6 UNL 1 4.392 1.984 -0.519 1.00 0.00 H HETATM 38 H7 UNL 1 -4.628 -0.665 2.071 1.00 0.00 H HETATM 39 H8 UNL 1 -3.965 -2.123 1.283 1.00 0.00 H HETATM 40 H9 UNL 1 -6.071 0.801 0.994 1.00 0.00 H HETATM 41 H10 UNL 1 -7.349 1.387 -0.951 1.00 0.00 H HETATM 42 H11 UNL 1 -6.970 0.325 -3.114 1.00 0.00 H HETATM 43 H12 UNL 1 -5.206 -1.420 -3.321 1.00 0.00 H HETATM 44 H13 UNL 1 -3.202 3.677 3.105 1.00 0.00 H HETATM 45 H14 UNL 1 0.545 2.418 1.573 1.00 0.00 H HETATM 46 H15 UNL 1 2.492 -3.031 -2.415 1.00 0.00 H HETATM 47 H16 UNL 1 3.061 -3.633 -0.801 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 CONECT 3 4 4 5 CONECT 5 6 35 CONECT 6 7 7 30 CONECT 7 8 9 CONECT 8 36 37 CONECT 9 10 10 CONECT 10 11 29 CONECT 11 12 12 28 CONECT 12 13 CONECT 13 14 22 CONECT 14 15 38 39 CONECT 15 16 16 20 CONECT 16 17 40 CONECT 17 18 18 41 CONECT 18 19 42 CONECT 19 20 20 43 CONECT 20 21 CONECT 22 23 23 28 CONECT 23 24 CONECT 24 25 25 44 CONECT 25 26 27 CONECT 27 28 28 45 CONECT 29 30 30 CONECT 30 31 CONECT 31 46 47 END