COMPND HMDB0060022 HETATM 1 O1 UNL 1 -3.048 2.084 -1.505 1.00 0.00 O HETATM 2 C1 UNL 1 -4.180 1.774 -1.052 1.00 0.00 C HETATM 3 O2 UNL 1 -5.274 2.131 -1.828 1.00 0.00 O HETATM 4 C2 UNL 1 -4.392 1.063 0.236 1.00 0.00 C HETATM 5 O3 UNL 1 -3.237 0.771 0.897 1.00 0.00 O HETATM 6 C3 UNL 1 -2.429 -0.171 0.280 1.00 0.00 C HETATM 7 O4 UNL 1 -1.349 0.403 -0.397 1.00 0.00 O HETATM 8 C4 UNL 1 -0.010 0.244 -0.135 1.00 0.00 C HETATM 9 C5 UNL 1 0.538 -0.514 0.849 1.00 0.00 C HETATM 10 C6 UNL 1 1.916 -0.635 1.064 1.00 0.00 C HETATM 11 C7 UNL 1 2.757 0.055 0.229 1.00 0.00 C HETATM 12 C8 UNL 1 2.262 0.853 -0.803 1.00 0.00 C HETATM 13 C9 UNL 1 0.899 0.924 -0.955 1.00 0.00 C HETATM 14 O5 UNL 1 3.050 1.528 -1.622 1.00 0.00 O HETATM 15 C10 UNL 1 4.341 1.484 -1.508 1.00 0.00 C HETATM 16 O6 UNL 1 5.105 2.131 -2.292 1.00 0.00 O HETATM 17 C11 UNL 1 4.938 0.726 -0.521 1.00 0.00 C HETATM 18 C12 UNL 1 6.302 0.680 -0.401 1.00 0.00 C HETATM 19 C13 UNL 1 6.894 -0.073 0.579 1.00 0.00 C HETATM 20 O7 UNL 1 8.276 -0.073 0.641 1.00 0.00 O HETATM 21 C14 UNL 1 6.100 -0.782 1.440 1.00 0.00 C HETATM 22 C15 UNL 1 4.723 -0.763 1.353 1.00 0.00 C HETATM 23 C16 UNL 1 4.151 0.002 0.360 1.00 0.00 C HETATM 24 C17 UNL 1 -3.222 -1.117 -0.600 1.00 0.00 C HETATM 25 O8 UNL 1 -2.503 -2.301 -0.800 1.00 0.00 O HETATM 26 C18 UNL 1 -4.523 -1.402 0.160 1.00 0.00 C HETATM 27 O9 UNL 1 -5.215 -2.460 -0.393 1.00 0.00 O HETATM 28 C19 UNL 1 -5.330 -0.114 0.074 1.00 0.00 C HETATM 29 O10 UNL 1 -6.362 -0.098 0.999 1.00 0.00 O HETATM 30 H1 UNL 1 -5.988 2.765 -1.560 1.00 0.00 H HETATM 31 H2 UNL 1 -4.953 1.798 0.888 1.00 0.00 H HETATM 32 H3 UNL 1 -2.030 -0.801 1.095 1.00 0.00 H HETATM 33 H4 UNL 1 -0.121 -1.068 1.520 1.00 0.00 H HETATM 34 H5 UNL 1 2.301 -1.242 1.850 1.00 0.00 H HETATM 35 H6 UNL 1 0.515 1.542 -1.754 1.00 0.00 H HETATM 36 H7 UNL 1 6.903 1.265 -1.114 1.00 0.00 H HETATM 37 H8 UNL 1 8.809 -0.600 1.332 1.00 0.00 H HETATM 38 H9 UNL 1 6.575 -1.380 2.219 1.00 0.00 H HETATM 39 H10 UNL 1 4.138 -1.323 2.036 1.00 0.00 H HETATM 40 H11 UNL 1 -3.503 -0.627 -1.532 1.00 0.00 H HETATM 41 H12 UNL 1 -2.736 -2.629 -1.722 1.00 0.00 H HETATM 42 H13 UNL 1 -4.221 -1.589 1.211 1.00 0.00 H HETATM 43 H14 UNL 1 -4.613 -3.206 -0.609 1.00 0.00 H HETATM 44 H15 UNL 1 -5.791 -0.100 -0.934 1.00 0.00 H HETATM 45 H16 UNL 1 -6.462 0.845 1.324 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 30 CONECT 4 5 28 31 CONECT 5 6 CONECT 6 7 24 32 CONECT 7 8 CONECT 8 9 9 13 CONECT 9 10 33 CONECT 10 11 11 34 CONECT 11 12 23 CONECT 12 13 13 14 CONECT 13 35 CONECT 14 15 CONECT 15 16 16 17 CONECT 17 18 18 23 CONECT 18 19 36 CONECT 19 20 21 21 CONECT 20 37 CONECT 21 22 38 CONECT 22 23 23 39 CONECT 24 25 26 40 CONECT 25 41 CONECT 26 27 28 42 CONECT 27 43 CONECT 28 29 44 CONECT 29 45 END