COMPND HMDB0124760 HETATM 1 O1 UNL 1 -3.519 1.124 4.478 1.00 0.00 O HETATM 2 C1 UNL 1 -3.205 0.914 3.267 1.00 0.00 C HETATM 3 C2 UNL 1 -4.172 1.040 2.295 1.00 0.00 C HETATM 4 C3 UNL 1 -3.853 0.815 0.972 1.00 0.00 C HETATM 5 O2 UNL 1 -4.729 0.920 0.005 1.00 0.00 O HETATM 6 C4 UNL 1 -4.439 0.711 -1.240 1.00 0.00 C HETATM 7 C5 UNL 1 -5.453 0.840 -2.291 1.00 0.00 C HETATM 8 O3 UNL 1 -6.659 1.195 -1.720 1.00 0.00 O HETATM 9 C6 UNL 1 -3.141 0.352 -1.644 1.00 0.00 C HETATM 10 C7 UNL 1 -2.198 0.232 -0.671 1.00 0.00 C HETATM 11 C8 UNL 1 -0.877 -0.120 -0.970 1.00 0.00 C HETATM 12 O4 UNL 1 -0.541 -0.345 -2.260 1.00 0.00 O HETATM 13 C9 UNL 1 0.026 -0.225 0.050 1.00 0.00 C HETATM 14 C10 UNL 1 1.407 -0.583 -0.164 1.00 0.00 C HETATM 15 C11 UNL 1 1.977 -0.854 -1.359 1.00 0.00 C HETATM 16 C12 UNL 1 3.339 -1.197 -1.487 1.00 0.00 C HETATM 17 O5 UNL 1 3.849 -1.461 -2.746 1.00 0.00 O HETATM 18 C13 UNL 1 4.140 -1.267 -0.379 1.00 0.00 C HETATM 19 O6 UNL 1 5.486 -1.600 -0.440 1.00 0.00 O HETATM 20 S1 UNL 1 6.710 -0.436 -0.633 1.00 0.00 S HETATM 21 O7 UNL 1 7.171 -0.306 -2.038 1.00 0.00 O HETATM 22 O8 UNL 1 7.922 -0.808 0.205 1.00 0.00 O HETATM 23 O9 UNL 1 6.208 1.079 -0.107 1.00 0.00 O HETATM 24 C14 UNL 1 3.575 -0.994 0.848 1.00 0.00 C HETATM 25 O10 UNL 1 4.407 -1.069 1.984 1.00 0.00 O HETATM 26 C15 UNL 1 2.244 -0.659 0.967 1.00 0.00 C HETATM 27 O11 UNL 1 -0.377 0.013 1.318 1.00 0.00 O HETATM 28 C16 UNL 1 -1.591 0.342 1.633 1.00 0.00 C HETATM 29 C17 UNL 1 -1.907 0.568 2.980 1.00 0.00 C HETATM 30 C18 UNL 1 -2.555 0.467 0.659 1.00 0.00 C HETATM 31 H1 UNL 1 -5.193 1.312 2.524 1.00 0.00 H HETATM 32 H2 UNL 1 -5.144 1.606 -3.034 1.00 0.00 H HETATM 33 H3 UNL 1 -5.514 -0.133 -2.822 1.00 0.00 H HETATM 34 H4 UNL 1 -7.207 0.416 -1.435 1.00 0.00 H HETATM 35 H5 UNL 1 -2.931 0.187 -2.674 1.00 0.00 H HETATM 36 H6 UNL 1 -1.139 -0.285 -3.027 1.00 0.00 H HETATM 37 H7 UNL 1 1.414 -0.818 -2.265 1.00 0.00 H HETATM 38 H8 UNL 1 4.795 -1.709 -2.923 1.00 0.00 H HETATM 39 H9 UNL 1 7.021 1.585 0.148 1.00 0.00 H HETATM 40 H10 UNL 1 3.967 -0.864 2.869 1.00 0.00 H HETATM 41 H11 UNL 1 1.816 -0.449 1.929 1.00 0.00 H HETATM 42 H12 UNL 1 -1.134 0.466 3.746 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 29 CONECT 3 4 4 31 CONECT 4 5 30 CONECT 5 6 CONECT 6 7 9 9 CONECT 7 8 32 33 CONECT 8 34 CONECT 9 10 35 CONECT 10 11 30 30 CONECT 11 12 13 13 CONECT 12 36 CONECT 13 14 27 CONECT 14 15 15 26 CONECT 15 16 37 CONECT 16 17 18 18 CONECT 17 38 CONECT 18 19 24 CONECT 19 20 CONECT 20 21 21 22 22 CONECT 20 23 CONECT 23 39 CONECT 24 25 26 26 CONECT 25 40 CONECT 26 41 CONECT 27 28 CONECT 28 29 29 30 CONECT 29 42 END