COMPND HMDB0041910 HETATM 1 C1 UNL 1 1.732 7.095 0.257 1.00 0.00 C HETATM 2 O1 UNL 1 1.685 5.710 0.216 1.00 0.00 O HETATM 3 C2 UNL 1 0.495 5.215 0.741 1.00 0.00 C HETATM 4 C3 UNL 1 0.518 3.738 0.664 1.00 0.00 C HETATM 5 O2 UNL 1 1.508 3.021 1.319 1.00 0.00 O HETATM 6 N1 UNL 1 -0.357 3.061 0.001 1.00 0.00 N HETATM 7 C4 UNL 1 -0.342 1.647 -0.077 1.00 0.00 C HETATM 8 C5 UNL 1 -1.356 0.915 0.486 1.00 0.00 C HETATM 9 I1 UNL 1 -2.938 1.918 1.469 1.00 0.00 I HETATM 10 C6 UNL 1 -1.344 -0.487 0.410 1.00 0.00 C HETATM 11 C7 UNL 1 -2.464 -1.166 1.033 1.00 0.00 C HETATM 12 O3 UNL 1 -2.343 -1.473 2.249 1.00 0.00 O HETATM 13 N2 UNL 1 -3.662 -1.463 0.296 1.00 0.00 N HETATM 14 C8 UNL 1 -3.687 -1.141 -1.146 1.00 0.00 C HETATM 15 C9 UNL 1 -4.820 -1.961 0.933 1.00 0.00 C HETATM 16 C10 UNL 1 -5.116 -3.401 1.049 1.00 0.00 C HETATM 17 O4 UNL 1 -6.424 -3.457 1.711 1.00 0.00 O HETATM 18 C11 UNL 1 -4.192 -4.152 1.968 1.00 0.00 C HETATM 19 O5 UNL 1 -2.937 -4.283 1.460 1.00 0.00 O HETATM 20 C12 UNL 1 -0.331 -1.116 -0.218 1.00 0.00 C HETATM 21 I2 UNL 1 -0.214 -3.220 -0.407 1.00 0.00 I HETATM 22 C13 UNL 1 0.721 -0.385 -0.804 1.00 0.00 C HETATM 23 C14 UNL 1 1.805 -1.094 -1.491 1.00 0.00 C HETATM 24 O6 UNL 1 1.770 -2.476 -1.580 1.00 0.00 O HETATM 25 N3 UNL 1 2.807 -0.482 -2.029 1.00 0.00 N HETATM 26 C15 UNL 1 3.834 -1.211 -2.687 1.00 0.00 C HETATM 27 C16 UNL 1 5.100 -1.434 -1.914 1.00 0.00 C HETATM 28 O7 UNL 1 4.932 -2.126 -0.721 1.00 0.00 O HETATM 29 C17 UNL 1 5.923 -0.195 -1.704 1.00 0.00 C HETATM 30 O8 UNL 1 5.382 0.682 -0.786 1.00 0.00 O HETATM 31 C18 UNL 1 0.688 0.987 -0.718 1.00 0.00 C HETATM 32 I3 UNL 1 2.220 2.165 -1.604 1.00 0.00 I HETATM 33 H1 UNL 1 2.703 7.408 -0.176 1.00 0.00 H HETATM 34 H2 UNL 1 1.576 7.479 1.280 1.00 0.00 H HETATM 35 H3 UNL 1 0.949 7.513 -0.408 1.00 0.00 H HETATM 36 H4 UNL 1 -0.325 5.665 0.170 1.00 0.00 H HETATM 37 H5 UNL 1 0.437 5.561 1.791 1.00 0.00 H HETATM 38 H6 UNL 1 2.407 3.476 1.420 1.00 0.00 H HETATM 39 H7 UNL 1 -3.091 -0.232 -1.310 1.00 0.00 H HETATM 40 H8 UNL 1 -3.284 -1.970 -1.729 1.00 0.00 H HETATM 41 H9 UNL 1 -4.723 -0.957 -1.487 1.00 0.00 H HETATM 42 H10 UNL 1 -5.700 -1.454 0.413 1.00 0.00 H HETATM 43 H11 UNL 1 -4.918 -1.476 1.981 1.00 0.00 H HETATM 44 H12 UNL 1 -5.278 -3.921 0.107 1.00 0.00 H HETATM 45 H13 UNL 1 -7.104 -3.323 1.001 1.00 0.00 H HETATM 46 H14 UNL 1 -4.639 -5.134 2.266 1.00 0.00 H HETATM 47 H15 UNL 1 -4.162 -3.569 2.940 1.00 0.00 H HETATM 48 H16 UNL 1 -2.606 -5.211 1.463 1.00 0.00 H HETATM 49 H17 UNL 1 2.453 -3.107 -1.210 1.00 0.00 H HETATM 50 H18 UNL 1 4.111 -0.695 -3.638 1.00 0.00 H HETATM 51 H19 UNL 1 3.457 -2.219 -3.044 1.00 0.00 H HETATM 52 H20 UNL 1 5.792 -2.123 -2.523 1.00 0.00 H HETATM 53 H21 UNL 1 4.662 -1.562 0.026 1.00 0.00 H HETATM 54 H22 UNL 1 6.960 -0.425 -1.409 1.00 0.00 H HETATM 55 H23 UNL 1 5.937 0.338 -2.692 1.00 0.00 H HETATM 56 H24 UNL 1 5.792 0.505 0.098 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 CONECT 3 4 36 37 CONECT 4 5 6 6 CONECT 5 38 CONECT 6 7 CONECT 7 8 8 31 CONECT 8 9 10 CONECT 10 11 20 20 CONECT 11 12 12 13 CONECT 13 14 15 CONECT 14 39 40 41 CONECT 15 16 42 43 CONECT 16 17 18 44 CONECT 17 45 CONECT 18 19 46 47 CONECT 19 48 CONECT 20 21 22 CONECT 22 23 31 31 CONECT 23 24 25 25 CONECT 24 49 CONECT 25 26 CONECT 26 27 50 51 CONECT 27 28 29 52 CONECT 28 53 CONECT 29 30 54 55 CONECT 30 56 CONECT 31 32 END