COMPND HMDB0258767 HETATM 1 C1 UNL 1 -4.896 -0.954 -1.521 1.00 0.00 C HETATM 2 C2 UNL 1 -4.619 -0.942 -0.032 1.00 0.00 C HETATM 3 C3 UNL 1 -5.901 -0.396 0.627 1.00 0.00 C HETATM 4 C4 UNL 1 -4.442 -2.341 0.475 1.00 0.00 C HETATM 5 N1 UNL 1 -3.491 -0.098 0.316 1.00 0.00 N HETATM 6 C5 UNL 1 -2.356 -0.563 -0.446 1.00 0.00 C HETATM 7 C6 UNL 1 -1.091 0.156 -0.149 1.00 0.00 C HETATM 8 C7 UNL 1 0.060 -0.575 0.158 1.00 0.00 C HETATM 9 C8 UNL 1 1.290 0.002 0.378 1.00 0.00 C HETATM 10 N2 UNL 1 2.501 -0.680 0.604 1.00 0.00 N HETATM 11 C9 UNL 1 2.873 -2.020 0.567 1.00 0.00 C HETATM 12 C10 UNL 1 2.065 -3.096 0.772 1.00 0.00 C HETATM 13 C11 UNL 1 2.529 -4.434 0.763 1.00 0.00 C HETATM 14 N3 UNL 1 3.816 -4.658 0.544 1.00 0.00 N HETATM 15 C12 UNL 1 4.680 -3.644 0.331 1.00 0.00 C HETATM 16 C13 UNL 1 6.015 -3.941 0.093 1.00 0.00 C HETATM 17 C14 UNL 1 6.894 -2.928 -0.135 1.00 0.00 C HETATM 18 CL1 UNL 1 8.581 -3.271 -0.444 1.00 0.00 CL HETATM 19 C15 UNL 1 6.499 -1.618 -0.138 1.00 0.00 C HETATM 20 C16 UNL 1 5.139 -1.330 0.104 1.00 0.00 C HETATM 21 C17 UNL 1 4.231 -2.334 0.339 1.00 0.00 C HETATM 22 C18 UNL 1 1.330 1.411 0.280 1.00 0.00 C HETATM 23 C19 UNL 1 0.232 2.163 -0.017 1.00 0.00 C HETATM 24 C20 UNL 1 0.250 3.619 -0.094 1.00 0.00 C HETATM 25 C21 UNL 1 1.216 4.313 -0.777 1.00 0.00 C HETATM 26 C22 UNL 1 1.186 5.710 -0.841 1.00 0.00 C HETATM 27 C23 UNL 1 0.190 6.419 -0.219 1.00 0.00 C HETATM 28 CL2 UNL 1 0.162 8.185 -0.319 1.00 0.00 CL HETATM 29 C24 UNL 1 -0.782 5.740 0.470 1.00 0.00 C HETATM 30 C25 UNL 1 -0.739 4.354 0.523 1.00 0.00 C HETATM 31 C26 UNL 1 -0.993 1.516 -0.234 1.00 0.00 C HETATM 32 O1 UNL 1 -2.076 2.298 -0.539 1.00 0.00 O HETATM 33 H1 UNL 1 -4.764 0.061 -1.977 1.00 0.00 H HETATM 34 H2 UNL 1 -5.928 -1.298 -1.670 1.00 0.00 H HETATM 35 H3 UNL 1 -4.239 -1.685 -2.055 1.00 0.00 H HETATM 36 H4 UNL 1 -6.724 -1.058 0.347 1.00 0.00 H HETATM 37 H5 UNL 1 -6.139 0.611 0.238 1.00 0.00 H HETATM 38 H6 UNL 1 -5.768 -0.450 1.726 1.00 0.00 H HETATM 39 H7 UNL 1 -3.706 -2.951 -0.049 1.00 0.00 H HETATM 40 H8 UNL 1 -5.438 -2.876 0.422 1.00 0.00 H HETATM 41 H9 UNL 1 -4.176 -2.215 1.574 1.00 0.00 H HETATM 42 H10 UNL 1 -3.299 -0.173 1.328 1.00 0.00 H HETATM 43 H11 UNL 1 -2.543 -0.561 -1.534 1.00 0.00 H HETATM 44 H12 UNL 1 -2.194 -1.635 -0.143 1.00 0.00 H HETATM 45 H13 UNL 1 -0.098 -1.625 0.180 1.00 0.00 H HETATM 46 H14 UNL 1 3.293 0.011 0.921 1.00 0.00 H HETATM 47 H15 UNL 1 1.026 -2.985 1.001 1.00 0.00 H HETATM 48 H16 UNL 1 1.841 -5.238 0.926 1.00 0.00 H HETATM 49 H17 UNL 1 6.356 -4.948 0.091 1.00 0.00 H HETATM 50 H18 UNL 1 7.158 -0.770 -0.317 1.00 0.00 H HETATM 51 H19 UNL 1 4.838 -0.301 0.082 1.00 0.00 H HETATM 52 H20 UNL 1 2.258 1.938 0.441 1.00 0.00 H HETATM 53 H21 UNL 1 2.026 3.751 -1.271 1.00 0.00 H HETATM 54 H22 UNL 1 1.950 6.231 -1.383 1.00 0.00 H HETATM 55 H23 UNL 1 -1.566 6.301 0.959 1.00 0.00 H HETATM 56 H24 UNL 1 -1.541 3.895 1.082 1.00 0.00 H HETATM 57 H25 UNL 1 -2.980 1.908 -0.709 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 4 5 CONECT 3 36 37 38 CONECT 4 39 40 41 CONECT 5 6 42 CONECT 6 7 43 44 CONECT 7 8 8 31 CONECT 8 9 45 CONECT 9 10 22 22 CONECT 10 11 46 CONECT 11 12 12 21 CONECT 12 13 47 CONECT 13 14 14 48 CONECT 14 15 CONECT 15 16 16 21 CONECT 16 17 49 CONECT 17 18 19 19 CONECT 19 20 50 CONECT 20 21 21 51 CONECT 22 23 52 CONECT 23 24 31 31 CONECT 24 25 25 30 CONECT 25 26 53 CONECT 26 27 27 54 CONECT 27 28 29 CONECT 29 30 30 55 CONECT 30 56 CONECT 31 32 CONECT 32 57 END