COMPND HMDB0033342 HETATM 1 C1 UNL 1 3.561 3.133 -1.690 1.00 0.00 C HETATM 2 O1 UNL 1 3.186 1.781 -1.575 1.00 0.00 O HETATM 3 C2 UNL 1 2.016 1.353 -0.959 1.00 0.00 C HETATM 4 C3 UNL 1 0.878 1.217 -1.704 1.00 0.00 C HETATM 5 O2 UNL 1 0.892 1.505 -3.066 1.00 0.00 O HETATM 6 C4 UNL 1 -0.316 0.792 -1.130 1.00 0.00 C HETATM 7 C5 UNL 1 -0.412 0.487 0.216 1.00 0.00 C HETATM 8 C6 UNL 1 0.735 0.627 0.950 1.00 0.00 C HETATM 9 C7 UNL 1 0.751 0.310 2.414 1.00 0.00 C HETATM 10 C8 UNL 1 1.945 1.055 0.380 1.00 0.00 C HETATM 11 C9 UNL 1 3.111 1.215 1.179 1.00 0.00 C HETATM 12 O3 UNL 1 3.272 2.364 1.724 1.00 0.00 O HETATM 13 C10 UNL 1 4.115 0.219 1.430 1.00 0.00 C HETATM 14 C11 UNL 1 4.206 -1.009 1.013 1.00 0.00 C HETATM 15 C12 UNL 1 5.397 -1.826 1.452 1.00 0.00 C HETATM 16 C13 UNL 1 3.244 -1.696 0.140 1.00 0.00 C HETATM 17 O4 UNL 1 -1.533 0.050 0.951 1.00 0.00 O HETATM 18 C14 UNL 1 -2.799 -0.307 0.508 1.00 0.00 C HETATM 19 C15 UNL 1 -3.664 -0.593 1.541 1.00 0.00 C HETATM 20 C16 UNL 1 -3.320 -0.518 2.936 1.00 0.00 C HETATM 21 O5 UNL 1 -2.195 -0.192 3.330 1.00 0.00 O HETATM 22 C17 UNL 1 -4.962 -0.967 1.239 1.00 0.00 C HETATM 23 O6 UNL 1 -5.868 -1.266 2.248 1.00 0.00 O HETATM 24 C18 UNL 1 -5.362 -1.045 -0.055 1.00 0.00 C HETATM 25 CL1 UNL 1 -7.007 -1.520 -0.467 1.00 0.00 CL HETATM 26 C19 UNL 1 -4.521 -0.764 -1.141 1.00 0.00 C HETATM 27 C20 UNL 1 -4.950 -0.838 -2.528 1.00 0.00 C HETATM 28 C21 UNL 1 -3.241 -0.396 -0.818 1.00 0.00 C HETATM 29 C22 UNL 1 -2.445 -0.106 -2.016 1.00 0.00 C HETATM 30 O7 UNL 1 -2.827 -0.681 -3.037 1.00 0.00 O HETATM 31 O8 UNL 1 -1.335 0.731 -2.105 1.00 0.00 O HETATM 32 H1 UNL 1 4.625 3.303 -1.394 1.00 0.00 H HETATM 33 H2 UNL 1 2.856 3.759 -1.092 1.00 0.00 H HETATM 34 H3 UNL 1 3.526 3.422 -2.779 1.00 0.00 H HETATM 35 H4 UNL 1 1.694 1.813 -3.560 1.00 0.00 H HETATM 36 H5 UNL 1 0.157 1.067 2.938 1.00 0.00 H HETATM 37 H6 UNL 1 1.813 0.308 2.755 1.00 0.00 H HETATM 38 H7 UNL 1 0.342 -0.684 2.584 1.00 0.00 H HETATM 39 H8 UNL 1 4.992 0.511 2.097 1.00 0.00 H HETATM 40 H9 UNL 1 5.627 -1.497 2.488 1.00 0.00 H HETATM 41 H10 UNL 1 6.281 -1.598 0.835 1.00 0.00 H HETATM 42 H11 UNL 1 5.198 -2.902 1.382 1.00 0.00 H HETATM 43 H12 UNL 1 2.248 -1.721 0.631 1.00 0.00 H HETATM 44 H13 UNL 1 3.571 -2.782 -0.012 1.00 0.00 H HETATM 45 H14 UNL 1 3.164 -1.218 -0.875 1.00 0.00 H HETATM 46 H15 UNL 1 -4.047 -0.748 3.700 1.00 0.00 H HETATM 47 H16 UNL 1 -6.808 -1.538 2.075 1.00 0.00 H HETATM 48 H17 UNL 1 -6.093 -0.917 -2.443 1.00 0.00 H HETATM 49 H18 UNL 1 -4.919 0.093 -3.127 1.00 0.00 H HETATM 50 H19 UNL 1 -4.782 -1.783 -3.073 1.00 0.00 H CONECT 1 2 32 33 34 CONECT 2 3 CONECT 3 4 4 10 CONECT 4 5 6 CONECT 5 35 CONECT 6 7 7 31 CONECT 7 8 17 CONECT 8 9 10 10 CONECT 9 36 37 38 CONECT 10 11 CONECT 11 12 12 13 CONECT 13 14 14 39 CONECT 14 15 16 CONECT 15 40 41 42 CONECT 16 43 44 45 CONECT 17 18 CONECT 18 19 19 28 CONECT 19 20 22 CONECT 20 21 21 46 CONECT 22 23 24 24 CONECT 23 47 CONECT 24 25 26 CONECT 26 27 28 28 CONECT 27 48 49 50 CONECT 28 29 CONECT 29 30 30 31 END