COMPND HMDB0251998 HETATM 1 C1 UNL 1 -5.288 1.677 -0.993 1.00 0.00 C HETATM 2 C2 UNL 1 -5.368 1.370 0.486 1.00 0.00 C HETATM 3 O1 UNL 1 -4.029 1.343 0.965 1.00 0.00 O HETATM 4 C3 UNL 1 -3.164 0.408 0.396 1.00 0.00 C HETATM 5 N1 UNL 1 -3.572 -0.447 -0.577 1.00 0.00 N HETATM 6 C4 UNL 1 -2.730 -1.345 -1.119 1.00 0.00 C HETATM 7 N2 UNL 1 -3.082 -2.175 -2.048 1.00 0.00 N HETATM 8 C5 UNL 1 -4.438 -2.177 -2.562 1.00 0.00 C HETATM 9 N3 UNL 1 -1.462 -1.376 -0.670 1.00 0.00 N HETATM 10 C6 UNL 1 -1.024 -0.538 0.299 1.00 0.00 C HETATM 11 N4 UNL 1 0.318 -0.583 0.762 1.00 0.00 N HETATM 12 C7 UNL 1 0.645 -1.109 1.887 1.00 0.00 C HETATM 13 O2 UNL 1 -0.350 -1.650 2.676 1.00 0.00 O HETATM 14 N5 UNL 1 1.986 -1.161 2.362 1.00 0.00 N HETATM 15 S1 UNL 1 2.850 0.319 2.552 1.00 0.00 S HETATM 16 O3 UNL 1 2.033 1.220 3.503 1.00 0.00 O HETATM 17 O4 UNL 1 4.194 0.102 3.166 1.00 0.00 O HETATM 18 C8 UNL 1 2.980 1.111 1.009 1.00 0.00 C HETATM 19 C9 UNL 1 2.365 2.375 0.827 1.00 0.00 C HETATM 20 C10 UNL 1 2.438 3.003 -0.388 1.00 0.00 C HETATM 21 C11 UNL 1 3.099 2.441 -1.453 1.00 0.00 C HETATM 22 C12 UNL 1 3.696 1.222 -1.286 1.00 0.00 C HETATM 23 C13 UNL 1 3.635 0.551 -0.040 1.00 0.00 C HETATM 24 C14 UNL 1 4.310 -0.717 0.062 1.00 0.00 C HETATM 25 O5 UNL 1 4.407 -1.352 1.113 1.00 0.00 O HETATM 26 O6 UNL 1 4.896 -1.287 -1.068 1.00 0.00 O HETATM 27 C15 UNL 1 5.572 -2.532 -1.021 1.00 0.00 C HETATM 28 N6 UNL 1 -1.890 0.354 0.826 1.00 0.00 N HETATM 29 H1 UNL 1 -5.803 0.849 -1.528 1.00 0.00 H HETATM 30 H2 UNL 1 -5.784 2.657 -1.191 1.00 0.00 H HETATM 31 H3 UNL 1 -4.257 1.738 -1.364 1.00 0.00 H HETATM 32 H4 UNL 1 -5.873 0.402 0.680 1.00 0.00 H HETATM 33 H5 UNL 1 -5.957 2.154 0.999 1.00 0.00 H HETATM 34 H6 UNL 1 -5.095 -1.792 -1.733 1.00 0.00 H HETATM 35 H7 UNL 1 -4.767 -3.146 -2.938 1.00 0.00 H HETATM 36 H8 UNL 1 -4.451 -1.466 -3.429 1.00 0.00 H HETATM 37 H9 UNL 1 -0.452 -1.243 3.615 1.00 0.00 H HETATM 38 H10 UNL 1 2.380 -2.106 2.593 1.00 0.00 H HETATM 39 H11 UNL 1 1.855 2.790 1.678 1.00 0.00 H HETATM 40 H12 UNL 1 1.969 3.958 -0.513 1.00 0.00 H HETATM 41 H13 UNL 1 3.142 2.969 -2.419 1.00 0.00 H HETATM 42 H14 UNL 1 4.228 0.743 -2.104 1.00 0.00 H HETATM 43 H15 UNL 1 6.321 -2.640 -1.807 1.00 0.00 H HETATM 44 H16 UNL 1 4.881 -3.386 -1.023 1.00 0.00 H HETATM 45 H17 UNL 1 6.147 -2.516 -0.049 1.00 0.00 H HETATM 46 H18 UNL 1 -1.514 0.988 1.576 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 32 33 CONECT 3 4 CONECT 4 5 5 28 CONECT 5 6 CONECT 6 7 7 9 CONECT 7 8 CONECT 8 34 35 36 CONECT 9 10 10 CONECT 10 11 28 CONECT 11 12 12 CONECT 12 13 14 CONECT 13 37 CONECT 14 15 38 CONECT 15 16 16 17 17 CONECT 15 18 CONECT 18 19 19 23 CONECT 19 20 39 CONECT 20 21 21 40 CONECT 21 22 41 CONECT 22 23 23 42 CONECT 23 24 CONECT 24 25 25 26 CONECT 26 27 CONECT 27 43 44 45 CONECT 28 46 END