COMPND HMDB0253358 HETATM 1 O1 UNL 1 -5.729 2.361 0.974 1.00 0.00 O HETATM 2 C1 UNL 1 -4.342 2.378 0.527 1.00 0.00 C HETATM 3 C2 UNL 1 -4.403 3.417 -0.587 1.00 0.00 C HETATM 4 N1 UNL 1 -5.406 3.096 -1.578 1.00 0.00 N HETATM 5 C3 UNL 1 -5.434 2.429 -2.701 1.00 0.00 C HETATM 6 N2 UNL 1 -6.695 2.456 -3.215 1.00 0.00 N HETATM 7 C4 UNL 1 -7.440 3.155 -2.381 1.00 0.00 C HETATM 8 N3 UNL 1 -6.666 3.557 -1.370 1.00 0.00 N HETATM 9 C5 UNL 1 -4.071 1.079 -0.084 1.00 0.00 C HETATM 10 N4 UNL 1 -2.763 0.783 -0.598 1.00 0.00 N HETATM 11 C6 UNL 1 -2.168 1.075 -1.765 1.00 0.00 C HETATM 12 N5 UNL 1 -0.969 0.450 -1.768 1.00 0.00 N HETATM 13 C7 UNL 1 -0.796 -0.228 -0.630 1.00 0.00 C HETATM 14 C8 UNL 1 0.353 -1.040 -0.225 1.00 0.00 C HETATM 15 C9 UNL 1 1.381 -1.172 -1.015 1.00 0.00 C HETATM 16 C10 UNL 1 2.573 -1.955 -0.711 1.00 0.00 C HETATM 17 C11 UNL 1 3.623 -2.029 -1.633 1.00 0.00 C HETATM 18 C12 UNL 1 4.760 -2.763 -1.368 1.00 0.00 C HETATM 19 C13 UNL 1 4.921 -3.459 -0.186 1.00 0.00 C HETATM 20 O2 UNL 1 6.081 -4.186 0.043 1.00 0.00 O HETATM 21 C14 UNL 1 7.099 -4.212 -0.939 1.00 0.00 C HETATM 22 C15 UNL 1 8.271 -5.042 -0.524 1.00 0.00 C HETATM 23 F1 UNL 1 9.198 -4.986 -1.571 1.00 0.00 F HETATM 24 F2 UNL 1 7.941 -6.382 -0.388 1.00 0.00 F HETATM 25 C16 UNL 1 8.881 -4.514 0.749 1.00 0.00 C HETATM 26 F3 UNL 1 9.294 -3.208 0.511 1.00 0.00 F HETATM 27 F4 UNL 1 9.967 -5.300 1.080 1.00 0.00 F HETATM 28 C17 UNL 1 3.893 -3.392 0.727 1.00 0.00 C HETATM 29 C18 UNL 1 2.736 -2.647 0.461 1.00 0.00 C HETATM 30 N6 UNL 1 -1.907 -0.011 0.073 1.00 0.00 N HETATM 31 C19 UNL 1 -3.620 2.812 1.726 1.00 0.00 C HETATM 32 C20 UNL 1 -2.631 2.169 2.400 1.00 0.00 C HETATM 33 C21 UNL 1 -1.991 2.677 3.538 1.00 0.00 C HETATM 34 C22 UNL 1 -2.396 3.903 3.997 1.00 0.00 C HETATM 35 F5 UNL 1 -1.809 4.430 5.087 1.00 0.00 F HETATM 36 C23 UNL 1 -3.387 4.589 3.358 1.00 0.00 C HETATM 37 C24 UNL 1 -3.985 4.058 2.252 1.00 0.00 C HETATM 38 F6 UNL 1 -4.996 4.775 1.722 1.00 0.00 F HETATM 39 H1 UNL 1 -6.203 1.636 0.511 1.00 0.00 H HETATM 40 H2 UNL 1 -3.418 3.370 -1.139 1.00 0.00 H HETATM 41 H3 UNL 1 -4.589 4.398 -0.186 1.00 0.00 H HETATM 42 H4 UNL 1 -4.644 1.920 -3.200 1.00 0.00 H HETATM 43 H5 UNL 1 -8.497 3.416 -2.415 1.00 0.00 H HETATM 44 H6 UNL 1 -4.781 0.874 -0.948 1.00 0.00 H HETATM 45 H7 UNL 1 -4.366 0.234 0.634 1.00 0.00 H HETATM 46 H8 UNL 1 -2.580 1.696 -2.531 1.00 0.00 H HETATM 47 H9 UNL 1 0.345 -1.528 0.730 1.00 0.00 H HETATM 48 H10 UNL 1 1.333 -0.645 -1.988 1.00 0.00 H HETATM 49 H11 UNL 1 3.488 -1.480 -2.558 1.00 0.00 H HETATM 50 H12 UNL 1 5.565 -2.801 -2.112 1.00 0.00 H HETATM 51 H13 UNL 1 7.449 -3.196 -1.195 1.00 0.00 H HETATM 52 H14 UNL 1 6.707 -4.642 -1.904 1.00 0.00 H HETATM 53 H15 UNL 1 8.136 -4.591 1.550 1.00 0.00 H HETATM 54 H16 UNL 1 3.974 -3.921 1.667 1.00 0.00 H HETATM 55 H17 UNL 1 1.940 -2.617 1.210 1.00 0.00 H HETATM 56 H18 UNL 1 -2.321 1.208 2.091 1.00 0.00 H HETATM 57 H19 UNL 1 -1.212 2.153 4.054 1.00 0.00 H HETATM 58 H20 UNL 1 -3.693 5.560 3.741 1.00 0.00 H CONECT 1 2 39 CONECT 2 3 9 31 CONECT 3 4 40 41 CONECT 4 5 8 CONECT 5 6 6 42 CONECT 6 7 CONECT 7 8 8 43 CONECT 9 10 44 45 CONECT 10 11 30 CONECT 11 12 12 46 CONECT 12 13 CONECT 13 14 30 30 CONECT 14 15 15 47 CONECT 15 16 48 CONECT 16 17 17 29 CONECT 17 18 49 CONECT 18 19 19 50 CONECT 19 20 28 CONECT 20 21 CONECT 21 22 51 52 CONECT 22 23 24 25 CONECT 25 26 27 53 CONECT 28 29 29 54 CONECT 29 55 CONECT 31 32 32 37 CONECT 32 33 56 CONECT 33 34 34 57 CONECT 34 35 36 CONECT 36 37 37 58 CONECT 37 38 END