COMPND HMDB0257097 HETATM 1 C1 UNL 1 -1.271 1.208 -1.549 1.00 0.00 C HETATM 2 C2 UNL 1 -1.524 0.750 -0.120 1.00 0.00 C HETATM 3 C3 UNL 1 -0.533 1.606 0.705 1.00 0.00 C HETATM 4 C4 UNL 1 0.856 1.403 0.288 1.00 0.00 C HETATM 5 C5 UNL 1 1.475 2.253 -0.646 1.00 0.00 C HETATM 6 N1 UNL 1 2.704 1.750 -0.825 1.00 0.00 N HETATM 7 C6 UNL 1 2.918 0.653 -0.080 1.00 0.00 C HETATM 8 C7 UNL 1 4.049 -0.160 0.036 1.00 0.00 C HETATM 9 O1 UNL 1 5.199 0.097 -0.691 1.00 0.00 O HETATM 10 C8 UNL 1 6.297 -0.775 -0.512 1.00 0.00 C HETATM 11 C9 UNL 1 7.456 -0.418 -1.324 1.00 0.00 C HETATM 12 O2 UNL 1 7.416 0.577 -2.083 1.00 0.00 O HETATM 13 O3 UNL 1 8.611 -1.169 -1.269 1.00 0.00 O HETATM 14 C10 UNL 1 3.962 -1.225 0.907 1.00 0.00 C HETATM 15 C11 UNL 1 2.834 -1.493 1.631 1.00 0.00 C HETATM 16 C12 UNL 1 1.739 -0.647 1.473 1.00 0.00 C HETATM 17 C13 UNL 1 1.763 0.427 0.623 1.00 0.00 C HETATM 18 N2 UNL 1 -1.252 -0.606 0.133 1.00 0.00 N HETATM 19 C14 UNL 1 -1.954 -1.611 -0.561 1.00 0.00 C HETATM 20 C15 UNL 1 -3.375 -1.794 -0.140 1.00 0.00 C HETATM 21 O4 UNL 1 -3.952 -2.846 -0.922 1.00 0.00 O HETATM 22 C16 UNL 1 -4.272 -0.644 -0.289 1.00 0.00 C HETATM 23 C17 UNL 1 -4.598 -0.094 -1.511 1.00 0.00 C HETATM 24 C18 UNL 1 -5.484 0.953 -1.582 1.00 0.00 C HETATM 25 C19 UNL 1 -6.068 1.486 -0.468 1.00 0.00 C HETATM 26 C20 UNL 1 -5.770 0.965 0.773 1.00 0.00 C HETATM 27 CL1 UNL 1 -6.518 1.646 2.208 1.00 0.00 CL HETATM 28 C21 UNL 1 -4.882 -0.085 0.840 1.00 0.00 C HETATM 29 H1 UNL 1 -1.252 2.320 -1.510 1.00 0.00 H HETATM 30 H2 UNL 1 -2.019 0.902 -2.269 1.00 0.00 H HETATM 31 H3 UNL 1 -0.266 0.895 -1.906 1.00 0.00 H HETATM 32 H4 UNL 1 -2.536 1.096 0.134 1.00 0.00 H HETATM 33 H5 UNL 1 -0.593 1.296 1.782 1.00 0.00 H HETATM 34 H6 UNL 1 -0.798 2.669 0.669 1.00 0.00 H HETATM 35 H7 UNL 1 1.070 3.118 -1.125 1.00 0.00 H HETATM 36 H8 UNL 1 3.464 2.135 -1.468 1.00 0.00 H HETATM 37 H9 UNL 1 5.902 -1.809 -0.740 1.00 0.00 H HETATM 38 H10 UNL 1 6.540 -0.813 0.591 1.00 0.00 H HETATM 39 H11 UNL 1 9.284 -1.128 -0.516 1.00 0.00 H HETATM 40 H12 UNL 1 4.812 -1.886 1.034 1.00 0.00 H HETATM 41 H13 UNL 1 2.716 -2.312 2.325 1.00 0.00 H HETATM 42 H14 UNL 1 0.854 -0.825 2.039 1.00 0.00 H HETATM 43 H15 UNL 1 -1.238 -0.805 1.188 1.00 0.00 H HETATM 44 H16 UNL 1 -1.977 -1.330 -1.657 1.00 0.00 H HETATM 45 H17 UNL 1 -1.408 -2.590 -0.461 1.00 0.00 H HETATM 46 H18 UNL 1 -3.469 -2.177 0.905 1.00 0.00 H HETATM 47 H19 UNL 1 -3.561 -3.719 -0.667 1.00 0.00 H HETATM 48 H20 UNL 1 -4.165 -0.478 -2.425 1.00 0.00 H HETATM 49 H21 UNL 1 -5.744 1.390 -2.553 1.00 0.00 H HETATM 50 H22 UNL 1 -6.779 2.323 -0.526 1.00 0.00 H HETATM 51 H23 UNL 1 -4.662 -0.478 1.830 1.00 0.00 H CONECT 1 2 29 30 31 CONECT 2 3 18 32 CONECT 3 4 33 34 CONECT 4 5 5 17 CONECT 5 6 35 CONECT 6 7 36 CONECT 7 8 8 17 CONECT 8 9 14 CONECT 9 10 CONECT 10 11 37 38 CONECT 11 12 12 13 CONECT 13 39 CONECT 14 15 15 40 CONECT 15 16 41 CONECT 16 17 17 42 CONECT 18 19 43 CONECT 19 20 44 45 CONECT 20 21 22 46 CONECT 21 47 CONECT 22 23 23 28 CONECT 23 24 48 CONECT 24 25 25 49 CONECT 25 26 50 CONECT 26 27 28 28 CONECT 28 51 END