COMPND HMDB0259838 HETATM 1 C1 UNL 1 7.724 -0.839 -0.011 1.00 0.00 C HETATM 2 S1 UNL 1 6.334 -1.666 -0.728 1.00 0.00 S HETATM 3 O1 UNL 1 6.319 -3.072 -0.200 1.00 0.00 O HETATM 4 O2 UNL 1 6.566 -1.762 -2.223 1.00 0.00 O HETATM 5 C2 UNL 1 4.834 -0.828 -0.394 1.00 0.00 C HETATM 6 C3 UNL 1 4.102 -1.129 0.734 1.00 0.00 C HETATM 7 C4 UNL 1 2.909 -0.475 1.019 1.00 0.00 C HETATM 8 C5 UNL 1 2.418 0.498 0.181 1.00 0.00 C HETATM 9 C6 UNL 1 1.137 1.195 0.493 1.00 0.00 C HETATM 10 O3 UNL 1 1.161 2.237 1.179 1.00 0.00 O HETATM 11 N1 UNL 1 -0.050 0.661 0.010 1.00 0.00 N HETATM 12 C7 UNL 1 -1.338 1.194 0.208 1.00 0.00 C HETATM 13 C8 UNL 1 -1.573 2.463 0.674 1.00 0.00 C HETATM 14 C9 UNL 1 -2.882 2.878 0.848 1.00 0.00 C HETATM 15 C10 UNL 1 -3.933 2.058 0.567 1.00 0.00 C HETATM 16 CL1 UNL 1 -5.575 2.602 0.794 1.00 0.00 CL HETATM 17 C11 UNL 1 -3.733 0.768 0.093 1.00 0.00 C HETATM 18 C12 UNL 1 -4.906 -0.086 -0.198 1.00 0.00 C HETATM 19 C13 UNL 1 -4.771 -1.363 -0.667 1.00 0.00 C HETATM 20 C14 UNL 1 -5.904 -2.145 -0.933 1.00 0.00 C HETATM 21 C15 UNL 1 -7.142 -1.587 -0.708 1.00 0.00 C HETATM 22 C16 UNL 1 -7.232 -0.307 -0.239 1.00 0.00 C HETATM 23 N2 UNL 1 -6.137 0.407 0.003 1.00 0.00 N HETATM 24 C17 UNL 1 -2.447 0.365 -0.076 1.00 0.00 C HETATM 25 C18 UNL 1 3.148 0.800 -0.945 1.00 0.00 C HETATM 26 CL2 UNL 1 2.558 2.036 -2.042 1.00 0.00 CL HETATM 27 C19 UNL 1 4.339 0.148 -1.231 1.00 0.00 C HETATM 28 H1 UNL 1 8.547 -1.554 0.242 1.00 0.00 H HETATM 29 H2 UNL 1 7.473 -0.265 0.890 1.00 0.00 H HETATM 30 H3 UNL 1 8.158 -0.128 -0.767 1.00 0.00 H HETATM 31 H4 UNL 1 4.489 -1.907 1.409 1.00 0.00 H HETATM 32 H5 UNL 1 2.351 -0.737 1.922 1.00 0.00 H HETATM 33 H6 UNL 1 0.016 -0.232 -0.568 1.00 0.00 H HETATM 34 H7 UNL 1 -0.759 3.158 0.902 1.00 0.00 H HETATM 35 H8 UNL 1 -3.023 3.890 1.220 1.00 0.00 H HETATM 36 H9 UNL 1 -3.801 -1.797 -0.842 1.00 0.00 H HETATM 37 H10 UNL 1 -5.772 -3.153 -1.303 1.00 0.00 H HETATM 38 H11 UNL 1 -8.053 -2.177 -0.907 1.00 0.00 H HETATM 39 H12 UNL 1 -8.224 0.099 -0.074 1.00 0.00 H HETATM 40 H13 UNL 1 -2.244 -0.643 -0.446 1.00 0.00 H HETATM 41 H14 UNL 1 4.916 0.394 -2.131 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 3 4 4 CONECT 2 5 CONECT 5 6 6 27 CONECT 6 7 31 CONECT 7 8 8 32 CONECT 8 9 25 CONECT 9 10 10 11 CONECT 11 12 33 CONECT 12 13 13 24 CONECT 13 14 34 CONECT 14 15 15 35 CONECT 15 16 17 CONECT 17 18 24 24 CONECT 18 19 19 23 CONECT 19 20 36 CONECT 20 21 21 37 CONECT 21 22 38 CONECT 22 23 23 39 CONECT 24 40 CONECT 25 26 27 27 CONECT 27 41 END