COMPND HMDB0257236 HETATM 1 C1 UNL 1 4.694 3.245 -0.810 1.00 0.00 C HETATM 2 O1 UNL 1 4.236 1.918 -0.822 1.00 0.00 O HETATM 3 C2 UNL 1 5.104 0.853 -1.019 1.00 0.00 C HETATM 4 O2 UNL 1 6.339 1.035 -1.199 1.00 0.00 O HETATM 5 N1 UNL 1 4.628 -0.486 -1.025 1.00 0.00 N HETATM 6 C3 UNL 1 5.517 -1.597 -1.225 1.00 0.00 C HETATM 7 C4 UNL 1 3.227 -0.667 -0.809 1.00 0.00 C HETATM 8 C5 UNL 1 2.816 -1.187 0.430 1.00 0.00 C HETATM 9 N2 UNL 1 3.773 -1.535 1.412 1.00 0.00 N HETATM 10 N3 UNL 1 1.505 -1.327 0.650 1.00 0.00 N HETATM 11 C6 UNL 1 0.536 -1.015 -0.214 1.00 0.00 C HETATM 12 C7 UNL 1 -0.877 -1.139 0.111 1.00 0.00 C HETATM 13 N4 UNL 1 -1.939 -0.872 -0.664 1.00 0.00 N HETATM 14 N5 UNL 1 -3.046 -1.059 -0.002 1.00 0.00 N HETATM 15 C8 UNL 1 -4.443 -0.841 -0.429 1.00 0.00 C HETATM 16 C9 UNL 1 -4.809 0.570 -0.266 1.00 0.00 C HETATM 17 C10 UNL 1 -5.520 1.029 0.814 1.00 0.00 C HETATM 18 C11 UNL 1 -5.822 2.369 0.949 1.00 0.00 C HETATM 19 C12 UNL 1 -5.405 3.274 -0.021 1.00 0.00 C HETATM 20 C13 UNL 1 -4.702 2.831 -1.095 1.00 0.00 C HETATM 21 C14 UNL 1 -4.392 1.488 -1.239 1.00 0.00 C HETATM 22 F1 UNL 1 -3.698 0.996 -2.300 1.00 0.00 F HETATM 23 C15 UNL 1 -2.742 -1.464 1.250 1.00 0.00 C HETATM 24 N6 UNL 1 -3.462 -1.800 2.332 1.00 0.00 N HETATM 25 C16 UNL 1 -2.864 -2.183 3.474 1.00 0.00 C HETATM 26 C17 UNL 1 -1.494 -2.248 3.588 1.00 0.00 C HETATM 27 C18 UNL 1 -0.729 -1.909 2.495 1.00 0.00 C HETATM 28 C19 UNL 1 -1.377 -1.523 1.343 1.00 0.00 C HETATM 29 N7 UNL 1 0.952 -0.516 -1.407 1.00 0.00 N HETATM 30 C20 UNL 1 2.246 -0.348 -1.695 1.00 0.00 C HETATM 31 N8 UNL 1 2.615 0.197 -2.962 1.00 0.00 N HETATM 32 H1 UNL 1 4.044 3.875 -1.455 1.00 0.00 H HETATM 33 H2 UNL 1 5.753 3.280 -1.094 1.00 0.00 H HETATM 34 H3 UNL 1 4.551 3.640 0.231 1.00 0.00 H HETATM 35 H4 UNL 1 5.959 -1.556 -2.240 1.00 0.00 H HETATM 36 H5 UNL 1 6.265 -1.687 -0.409 1.00 0.00 H HETATM 37 H6 UNL 1 4.907 -2.543 -1.157 1.00 0.00 H HETATM 38 H7 UNL 1 3.936 -2.535 1.620 1.00 0.00 H HETATM 39 H8 UNL 1 4.308 -0.804 1.920 1.00 0.00 H HETATM 40 H9 UNL 1 -5.140 -1.426 0.225 1.00 0.00 H HETATM 41 H10 UNL 1 -4.570 -1.188 -1.472 1.00 0.00 H HETATM 42 H11 UNL 1 -5.870 0.355 1.610 1.00 0.00 H HETATM 43 H12 UNL 1 -6.380 2.756 1.798 1.00 0.00 H HETATM 44 H13 UNL 1 -5.646 4.335 0.083 1.00 0.00 H HETATM 45 H14 UNL 1 -4.376 3.527 -1.851 1.00 0.00 H HETATM 46 H15 UNL 1 -3.439 -2.467 4.374 1.00 0.00 H HETATM 47 H16 UNL 1 -0.992 -2.558 4.517 1.00 0.00 H HETATM 48 H17 UNL 1 0.342 -1.950 2.545 1.00 0.00 H HETATM 49 H18 UNL 1 3.255 -0.275 -3.630 1.00 0.00 H HETATM 50 H19 UNL 1 2.228 1.131 -3.257 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 CONECT 3 4 4 5 CONECT 5 6 7 CONECT 6 35 36 37 CONECT 7 8 8 30 CONECT 8 9 10 CONECT 9 38 39 CONECT 10 11 11 CONECT 11 12 29 CONECT 12 13 13 28 CONECT 13 14 CONECT 14 15 23 CONECT 15 16 40 41 CONECT 16 17 17 21 CONECT 17 18 42 CONECT 18 19 19 43 CONECT 19 20 44 CONECT 20 21 21 45 CONECT 21 22 CONECT 23 24 24 28 CONECT 24 25 CONECT 25 26 26 46 CONECT 26 27 47 CONECT 27 28 28 48 CONECT 29 30 30 CONECT 30 31 CONECT 31 49 50 END