COMPND HMDB0041832 HETATM 1 O1 UNL 1 -6.501 1.663 -0.999 1.00 0.00 O HETATM 2 C1 UNL 1 -5.304 1.292 -1.075 1.00 0.00 C HETATM 3 O2 UNL 1 -4.318 2.250 -0.996 1.00 0.00 O HETATM 4 C2 UNL 1 -4.928 -0.131 -1.246 1.00 0.00 C HETATM 5 O3 UNL 1 -3.570 -0.262 -1.251 1.00 0.00 O HETATM 6 C3 UNL 1 -2.960 -0.141 0.025 1.00 0.00 C HETATM 7 O4 UNL 1 -1.645 -0.131 -0.007 1.00 0.00 O HETATM 8 C4 UNL 1 -0.546 0.541 0.273 1.00 0.00 C HETATM 9 C5 UNL 1 0.675 -0.116 -0.052 1.00 0.00 C HETATM 10 C6 UNL 1 1.916 0.406 0.157 1.00 0.00 C HETATM 11 O5 UNL 1 2.991 -0.298 -0.186 1.00 0.00 O HETATM 12 C7 UNL 1 4.223 0.118 -0.024 1.00 0.00 C HETATM 13 C8 UNL 1 5.345 -0.722 -0.430 1.00 0.00 C HETATM 14 C9 UNL 1 5.115 -1.976 -0.994 1.00 0.00 C HETATM 15 C10 UNL 1 6.145 -2.801 -1.391 1.00 0.00 C HETATM 16 C11 UNL 1 7.444 -2.366 -1.222 1.00 0.00 C HETATM 17 C12 UNL 1 7.704 -1.140 -0.672 1.00 0.00 C HETATM 18 C13 UNL 1 6.638 -0.321 -0.277 1.00 0.00 C HETATM 19 C14 UNL 1 4.361 1.364 0.538 1.00 0.00 C HETATM 20 C15 UNL 1 3.291 2.154 0.920 1.00 0.00 C HETATM 21 O6 UNL 1 3.441 3.280 1.427 1.00 0.00 O HETATM 22 C16 UNL 1 2.021 1.658 0.723 1.00 0.00 C HETATM 23 C17 UNL 1 0.901 2.358 1.065 1.00 0.00 C HETATM 24 O7 UNL 1 0.930 3.592 1.624 1.00 0.00 O HETATM 25 C18 UNL 1 -0.377 1.785 0.834 1.00 0.00 C HETATM 26 O8 UNL 1 -1.450 2.530 1.195 1.00 0.00 O HETATM 27 C19 UNL 1 -3.553 -1.321 0.845 1.00 0.00 C HETATM 28 O9 UNL 1 -3.403 -2.484 0.118 1.00 0.00 O HETATM 29 C20 UNL 1 -5.003 -0.939 1.063 1.00 0.00 C HETATM 30 O10 UNL 1 -5.074 0.399 1.452 1.00 0.00 O HETATM 31 C21 UNL 1 -5.665 -1.044 -0.288 1.00 0.00 C HETATM 32 O11 UNL 1 -5.574 -2.375 -0.687 1.00 0.00 O HETATM 33 H1 UNL 1 -4.244 3.066 -1.581 1.00 0.00 H HETATM 34 H2 UNL 1 -5.335 -0.424 -2.275 1.00 0.00 H HETATM 35 H3 UNL 1 -3.437 0.744 0.482 1.00 0.00 H HETATM 36 H4 UNL 1 0.605 -1.117 -0.505 1.00 0.00 H HETATM 37 H5 UNL 1 4.093 -2.277 -1.108 1.00 0.00 H HETATM 38 H6 UNL 1 5.965 -3.781 -1.831 1.00 0.00 H HETATM 39 H7 UNL 1 8.252 -3.040 -1.546 1.00 0.00 H HETATM 40 H8 UNL 1 8.728 -0.822 -0.550 1.00 0.00 H HETATM 41 H9 UNL 1 6.857 0.637 0.153 1.00 0.00 H HETATM 42 H10 UNL 1 5.351 1.773 0.701 1.00 0.00 H HETATM 43 H11 UNL 1 1.554 4.250 1.909 1.00 0.00 H HETATM 44 H12 UNL 1 -2.393 2.451 1.177 1.00 0.00 H HETATM 45 H13 UNL 1 -3.054 -1.386 1.823 1.00 0.00 H HETATM 46 H14 UNL 1 -3.056 -2.311 -0.815 1.00 0.00 H HETATM 47 H15 UNL 1 -5.486 -1.588 1.820 1.00 0.00 H HETATM 48 H16 UNL 1 -4.543 0.582 2.266 1.00 0.00 H HETATM 49 H17 UNL 1 -6.727 -0.746 -0.175 1.00 0.00 H HETATM 50 H18 UNL 1 -6.399 -2.833 -0.406 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 33 CONECT 4 5 31 34 CONECT 5 6 CONECT 6 7 27 35 CONECT 7 8 CONECT 8 9 9 25 CONECT 9 10 36 CONECT 10 11 22 22 CONECT 11 12 CONECT 12 13 19 19 CONECT 13 14 14 18 CONECT 14 15 37 CONECT 15 16 16 38 CONECT 16 17 39 CONECT 17 18 18 40 CONECT 18 41 CONECT 19 20 42 CONECT 20 21 21 22 CONECT 22 23 CONECT 23 24 25 25 CONECT 24 43 CONECT 25 26 CONECT 26 44 CONECT 27 28 29 45 CONECT 28 46 CONECT 29 30 31 47 CONECT 30 48 CONECT 31 32 49 CONECT 32 50 END