COMPND HMDB0031946 HETATM 1 C1 UNL 1 8.093 1.244 -1.001 1.00 0.00 C HETATM 2 C2 UNL 1 8.985 0.246 -0.318 1.00 0.00 C HETATM 3 O1 UNL 1 8.248 -0.604 0.542 1.00 0.00 O HETATM 4 C3 UNL 1 7.237 -1.407 0.071 1.00 0.00 C HETATM 5 S1 UNL 1 7.661 -2.802 -0.678 1.00 0.00 S HETATM 6 N1 UNL 1 5.897 -1.035 0.232 1.00 0.00 N HETATM 7 C4 UNL 1 4.790 -1.872 -0.261 1.00 0.00 C HETATM 8 C5 UNL 1 3.486 -1.241 0.050 1.00 0.00 C HETATM 9 C6 UNL 1 3.321 -0.651 1.285 1.00 0.00 C HETATM 10 C7 UNL 1 2.139 -0.062 1.606 1.00 0.00 C HETATM 11 C8 UNL 1 1.041 -0.013 0.735 1.00 0.00 C HETATM 12 O2 UNL 1 -0.127 0.606 1.136 1.00 0.00 O HETATM 13 C9 UNL 1 -1.269 0.704 0.341 1.00 0.00 C HETATM 14 O3 UNL 1 -1.531 2.099 0.247 1.00 0.00 O HETATM 15 C10 UNL 1 -2.520 2.377 -0.642 1.00 0.00 C HETATM 16 C11 UNL 1 -1.907 2.309 -2.047 1.00 0.00 C HETATM 17 C12 UNL 1 -3.770 1.574 -0.525 1.00 0.00 C HETATM 18 O4 UNL 1 -4.865 2.375 -0.115 1.00 0.00 O HETATM 19 C13 UNL 1 -5.960 2.638 -0.918 1.00 0.00 C HETATM 20 C14 UNL 1 -7.105 3.489 -0.460 1.00 0.00 C HETATM 21 O5 UNL 1 -5.944 2.118 -2.069 1.00 0.00 O HETATM 22 C15 UNL 1 -3.669 0.326 0.275 1.00 0.00 C HETATM 23 O6 UNL 1 -3.775 -0.856 -0.524 1.00 0.00 O HETATM 24 C16 UNL 1 -4.778 -1.776 -0.411 1.00 0.00 C HETATM 25 C17 UNL 1 -4.764 -2.960 -1.308 1.00 0.00 C HETATM 26 O7 UNL 1 -5.682 -1.582 0.455 1.00 0.00 O HETATM 27 C18 UNL 1 -2.464 0.189 1.125 1.00 0.00 C HETATM 28 O8 UNL 1 -2.297 -1.088 1.626 1.00 0.00 O HETATM 29 C19 UNL 1 -2.275 -1.414 2.974 1.00 0.00 C HETATM 30 C20 UNL 1 -2.088 -2.822 3.352 1.00 0.00 C HETATM 31 O9 UNL 1 -2.419 -0.464 3.784 1.00 0.00 O HETATM 32 C21 UNL 1 1.232 -0.609 -0.492 1.00 0.00 C HETATM 33 C22 UNL 1 2.441 -1.223 -0.845 1.00 0.00 C HETATM 34 H1 UNL 1 7.050 0.871 -1.064 1.00 0.00 H HETATM 35 H2 UNL 1 8.127 2.236 -0.482 1.00 0.00 H HETATM 36 H3 UNL 1 8.479 1.432 -2.036 1.00 0.00 H HETATM 37 H4 UNL 1 9.530 -0.371 -1.067 1.00 0.00 H HETATM 38 H5 UNL 1 9.744 0.800 0.285 1.00 0.00 H HETATM 39 H6 UNL 1 5.667 -0.143 0.711 1.00 0.00 H HETATM 40 H7 UNL 1 4.924 -1.970 -1.360 1.00 0.00 H HETATM 41 H8 UNL 1 4.861 -2.838 0.271 1.00 0.00 H HETATM 42 H9 UNL 1 4.177 -0.682 1.983 1.00 0.00 H HETATM 43 H10 UNL 1 1.995 0.404 2.567 1.00 0.00 H HETATM 44 H11 UNL 1 -1.210 0.259 -0.653 1.00 0.00 H HETATM 45 H12 UNL 1 -2.792 3.458 -0.500 1.00 0.00 H HETATM 46 H13 UNL 1 -2.631 1.789 -2.689 1.00 0.00 H HETATM 47 H14 UNL 1 -1.669 3.301 -2.445 1.00 0.00 H HETATM 48 H15 UNL 1 -0.927 1.751 -2.015 1.00 0.00 H HETATM 49 H16 UNL 1 -4.032 1.254 -1.580 1.00 0.00 H HETATM 50 H17 UNL 1 -7.654 3.915 -1.305 1.00 0.00 H HETATM 51 H18 UNL 1 -6.726 4.260 0.237 1.00 0.00 H HETATM 52 H19 UNL 1 -7.784 2.812 0.101 1.00 0.00 H HETATM 53 H20 UNL 1 -4.568 0.283 0.960 1.00 0.00 H HETATM 54 H21 UNL 1 -5.754 -3.439 -1.404 1.00 0.00 H HETATM 55 H22 UNL 1 -4.374 -2.617 -2.298 1.00 0.00 H HETATM 56 H23 UNL 1 -4.008 -3.704 -0.944 1.00 0.00 H HETATM 57 H24 UNL 1 -2.575 0.889 1.997 1.00 0.00 H HETATM 58 H25 UNL 1 -1.449 -2.831 4.280 1.00 0.00 H HETATM 59 H26 UNL 1 -1.649 -3.393 2.532 1.00 0.00 H HETATM 60 H27 UNL 1 -3.087 -3.235 3.627 1.00 0.00 H HETATM 61 H28 UNL 1 0.432 -0.621 -1.237 1.00 0.00 H HETATM 62 H29 UNL 1 2.543 -1.681 -1.828 1.00 0.00 H CONECT 1 2 34 35 36 CONECT 2 3 37 38 CONECT 3 4 CONECT 4 5 5 6 CONECT 6 7 39 CONECT 7 8 40 41 CONECT 8 9 9 33 CONECT 9 10 42 CONECT 10 11 11 43 CONECT 11 12 32 CONECT 12 13 CONECT 13 14 27 44 CONECT 14 15 CONECT 15 16 17 45 CONECT 16 46 47 48 CONECT 17 18 22 49 CONECT 18 19 CONECT 19 20 21 21 CONECT 20 50 51 52 CONECT 22 23 27 53 CONECT 23 24 CONECT 24 25 26 26 CONECT 25 54 55 56 CONECT 27 28 57 CONECT 28 29 CONECT 29 30 31 31 CONECT 30 58 59 60 CONECT 32 33 33 61 CONECT 33 62 END