COMPND HMDB0259708 HETATM 1 C1 UNL 1 0.129 -3.809 0.804 1.00 0.00 C HETATM 2 C2 UNL 1 -0.517 -2.456 0.652 1.00 0.00 C HETATM 3 C3 UNL 1 -0.057 -1.735 -0.572 1.00 0.00 C HETATM 4 C4 UNL 1 1.450 -1.551 -0.460 1.00 0.00 C HETATM 5 N1 UNL 1 1.714 -0.182 -0.826 1.00 0.00 N HETATM 6 C5 UNL 1 2.959 0.480 -0.664 1.00 0.00 C HETATM 7 O1 UNL 1 3.044 1.672 -1.026 1.00 0.00 O HETATM 8 N2 UNL 1 4.076 -0.172 -0.113 1.00 0.00 N HETATM 9 C6 UNL 1 5.363 0.406 0.103 1.00 0.00 C HETATM 10 C7 UNL 1 5.295 1.525 1.100 1.00 0.00 C HETATM 11 F1 UNL 1 4.799 1.031 2.321 1.00 0.00 F HETATM 12 F2 UNL 1 6.601 2.004 1.349 1.00 0.00 F HETATM 13 F3 UNL 1 4.495 2.547 0.706 1.00 0.00 F HETATM 14 C8 UNL 1 0.514 0.364 -1.367 1.00 0.00 C HETATM 15 C9 UNL 1 -0.526 -0.268 -0.443 1.00 0.00 C HETATM 16 C10 UNL 1 -1.851 -0.082 -1.015 1.00 0.00 C HETATM 17 C11 UNL 1 -2.278 -0.713 -2.175 1.00 0.00 C HETATM 18 N3 UNL 1 -3.535 -0.344 -2.448 1.00 0.00 N HETATM 19 C12 UNL 1 -3.910 0.505 -1.487 1.00 0.00 C HETATM 20 C13 UNL 1 -5.109 1.161 -1.323 1.00 0.00 C HETATM 21 N4 UNL 1 -5.241 1.978 -0.261 1.00 0.00 N HETATM 22 C14 UNL 1 -4.252 2.168 0.628 1.00 0.00 C HETATM 23 N5 UNL 1 -4.180 2.932 1.734 1.00 0.00 N HETATM 24 C15 UNL 1 -2.970 2.776 2.268 1.00 0.00 C HETATM 25 C16 UNL 1 -2.249 1.878 1.471 1.00 0.00 C HETATM 26 C17 UNL 1 -3.065 1.498 0.438 1.00 0.00 C HETATM 27 N6 UNL 1 -2.877 0.669 -0.604 1.00 0.00 N HETATM 28 H1 UNL 1 0.905 -3.973 0.028 1.00 0.00 H HETATM 29 H2 UNL 1 -0.635 -4.603 0.735 1.00 0.00 H HETATM 30 H3 UNL 1 0.647 -3.932 1.786 1.00 0.00 H HETATM 31 H4 UNL 1 -0.202 -1.851 1.535 1.00 0.00 H HETATM 32 H5 UNL 1 -1.626 -2.524 0.686 1.00 0.00 H HETATM 33 H6 UNL 1 -0.353 -2.180 -1.519 1.00 0.00 H HETATM 34 H7 UNL 1 1.977 -2.186 -1.229 1.00 0.00 H HETATM 35 H8 UNL 1 1.812 -1.735 0.556 1.00 0.00 H HETATM 36 H9 UNL 1 3.932 -1.206 0.169 1.00 0.00 H HETATM 37 H10 UNL 1 6.121 -0.372 0.412 1.00 0.00 H HETATM 38 H11 UNL 1 5.703 0.843 -0.887 1.00 0.00 H HETATM 39 H12 UNL 1 0.456 1.446 -1.394 1.00 0.00 H HETATM 40 H13 UNL 1 0.303 -0.044 -2.381 1.00 0.00 H HETATM 41 H14 UNL 1 -0.371 -0.023 0.590 1.00 0.00 H HETATM 42 H15 UNL 1 -1.729 -1.401 -2.800 1.00 0.00 H HETATM 43 H16 UNL 1 -5.934 1.024 -2.035 1.00 0.00 H HETATM 44 H17 UNL 1 -4.942 3.544 2.109 1.00 0.00 H HETATM 45 H18 UNL 1 -2.630 3.271 3.167 1.00 0.00 H HETATM 46 H19 UNL 1 -1.258 1.624 1.725 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 31 32 CONECT 3 4 15 33 CONECT 4 5 34 35 CONECT 5 6 14 CONECT 6 7 7 8 CONECT 8 9 36 CONECT 9 10 37 38 CONECT 10 11 12 13 CONECT 14 15 39 40 CONECT 15 16 41 CONECT 16 17 17 27 CONECT 17 18 42 CONECT 18 19 19 CONECT 19 20 27 CONECT 20 21 21 43 CONECT 21 22 CONECT 22 23 26 26 CONECT 23 24 44 CONECT 24 25 25 45 CONECT 25 26 46 CONECT 26 27 END