COMPND HMDB0030927 HETATM 1 C1 UNL 1 -5.418 1.274 1.035 1.00 0.00 C HETATM 2 C2 UNL 1 -5.785 0.239 0.304 1.00 0.00 C HETATM 3 C3 UNL 1 -5.182 -1.083 0.522 1.00 0.00 C HETATM 4 C4 UNL 1 -4.474 -1.608 -0.711 1.00 0.00 C HETATM 5 C5 UNL 1 -3.367 -0.711 -1.161 1.00 0.00 C HETATM 6 C6 UNL 1 -2.318 -0.556 -0.081 1.00 0.00 C HETATM 7 C7 UNL 1 -1.252 0.360 -0.630 1.00 0.00 C HETATM 8 C8 UNL 1 -0.131 0.599 0.367 1.00 0.00 C HETATM 9 C9 UNL 1 0.563 -0.641 0.769 1.00 0.00 C HETATM 10 C10 UNL 1 1.229 -1.458 -0.255 1.00 0.00 C HETATM 11 C11 UNL 1 2.373 -0.909 -0.982 1.00 0.00 C HETATM 12 C12 UNL 1 2.953 0.260 -0.798 1.00 0.00 C HETATM 13 C13 UNL 1 4.140 0.686 -1.647 1.00 0.00 C HETATM 14 C14 UNL 1 5.264 0.908 -0.681 1.00 0.00 C HETATM 15 C15 UNL 1 5.577 2.080 -0.046 1.00 0.00 C HETATM 16 C16 UNL 1 6.690 1.842 0.759 1.00 0.00 C HETATM 17 C17 UNL 1 6.991 0.510 0.558 1.00 0.00 C HETATM 18 O1 UNL 1 6.141 -0.001 -0.285 1.00 0.00 O HETATM 19 H1 UNL 1 -5.858 2.266 0.886 1.00 0.00 H HETATM 20 H2 UNL 1 -4.671 1.217 1.819 1.00 0.00 H HETATM 21 H3 UNL 1 -6.534 0.370 -0.457 1.00 0.00 H HETATM 22 H4 UNL 1 -6.018 -1.776 0.803 1.00 0.00 H HETATM 23 H5 UNL 1 -4.491 -1.101 1.383 1.00 0.00 H HETATM 24 H6 UNL 1 -4.049 -2.608 -0.490 1.00 0.00 H HETATM 25 H7 UNL 1 -5.248 -1.763 -1.484 1.00 0.00 H HETATM 26 H8 UNL 1 -2.937 -1.144 -2.085 1.00 0.00 H HETATM 27 H9 UNL 1 -3.810 0.262 -1.455 1.00 0.00 H HETATM 28 H10 UNL 1 -2.791 -0.129 0.826 1.00 0.00 H HETATM 29 H11 UNL 1 -1.940 -1.544 0.181 1.00 0.00 H HETATM 30 H12 UNL 1 -0.829 -0.106 -1.528 1.00 0.00 H HETATM 31 H13 UNL 1 -1.739 1.311 -0.924 1.00 0.00 H HETATM 32 H14 UNL 1 -0.683 0.960 1.297 1.00 0.00 H HETATM 33 H15 UNL 1 0.447 1.436 0.037 1.00 0.00 H HETATM 34 H16 UNL 1 1.360 -0.354 1.527 1.00 0.00 H HETATM 35 H17 UNL 1 -0.113 -1.304 1.361 1.00 0.00 H HETATM 36 H18 UNL 1 1.508 -2.438 0.268 1.00 0.00 H HETATM 37 H19 UNL 1 0.494 -1.854 -1.037 1.00 0.00 H HETATM 38 H20 UNL 1 2.846 -1.509 -1.795 1.00 0.00 H HETATM 39 H21 UNL 1 2.609 0.910 -0.037 1.00 0.00 H HETATM 40 H22 UNL 1 3.927 1.622 -2.177 1.00 0.00 H HETATM 41 H23 UNL 1 4.423 -0.107 -2.338 1.00 0.00 H HETATM 42 H24 UNL 1 5.069 3.030 -0.136 1.00 0.00 H HETATM 43 H25 UNL 1 7.210 2.543 1.403 1.00 0.00 H HETATM 44 H26 UNL 1 7.824 0.023 1.058 1.00 0.00 H CONECT 1 2 2 19 20 CONECT 2 3 21 CONECT 3 4 22 23 CONECT 4 5 24 25 CONECT 5 6 26 27 CONECT 6 7 28 29 CONECT 7 8 30 31 CONECT 8 9 32 33 CONECT 9 10 34 35 CONECT 10 11 36 37 CONECT 11 12 12 38 CONECT 12 13 39 CONECT 13 14 40 41 CONECT 14 15 15 18 CONECT 15 16 42 CONECT 16 17 17 43 CONECT 17 18 44 END