COMPND HMDB0015358 HETATM 1 C1 UNL 1 -2.148 2.044 -2.407 1.00 0.00 C HETATM 2 C2 UNL 1 -1.014 1.192 -1.948 1.00 0.00 C HETATM 3 C3 UNL 1 -1.186 0.794 -0.455 1.00 0.00 C HETATM 4 O1 UNL 1 -1.243 1.892 0.348 1.00 0.00 O HETATM 5 C4 UNL 1 -2.294 2.521 0.946 1.00 0.00 C HETATM 6 C5 UNL 1 -2.165 3.736 1.808 1.00 0.00 C HETATM 7 O2 UNL 1 -3.433 1.998 0.724 1.00 0.00 O HETATM 8 C6 UNL 1 -0.257 -0.319 -0.218 1.00 0.00 C HETATM 9 C7 UNL 1 1.197 -0.099 -0.412 1.00 0.00 C HETATM 10 C8 UNL 1 1.954 0.857 0.403 1.00 0.00 C HETATM 11 C9 UNL 1 1.609 2.298 0.379 1.00 0.00 C HETATM 12 N1 UNL 1 3.373 0.625 0.078 1.00 0.00 N HETATM 13 C10 UNL 1 3.812 -0.690 0.437 1.00 0.00 C HETATM 14 C11 UNL 1 4.237 1.689 0.430 1.00 0.00 C HETATM 15 C12 UNL 1 -0.733 -1.393 -1.221 1.00 0.00 C HETATM 16 C13 UNL 1 0.053 -1.866 -2.212 1.00 0.00 C HETATM 17 C14 UNL 1 -0.470 -2.836 -3.048 1.00 0.00 C HETATM 18 C15 UNL 1 -1.776 -3.303 -2.860 1.00 0.00 C HETATM 19 C16 UNL 1 -2.568 -2.817 -1.850 1.00 0.00 C HETATM 20 C17 UNL 1 -2.019 -1.836 -1.015 1.00 0.00 C HETATM 21 C18 UNL 1 -0.417 -1.071 1.075 1.00 0.00 C HETATM 22 C19 UNL 1 -0.999 -0.631 2.203 1.00 0.00 C HETATM 23 C20 UNL 1 -1.080 -1.447 3.338 1.00 0.00 C HETATM 24 C21 UNL 1 -0.562 -2.735 3.330 1.00 0.00 C HETATM 25 C22 UNL 1 0.028 -3.187 2.192 1.00 0.00 C HETATM 26 C23 UNL 1 0.096 -2.371 1.094 1.00 0.00 C HETATM 27 H1 UNL 1 -2.049 3.124 -2.154 1.00 0.00 H HETATM 28 H2 UNL 1 -2.316 2.010 -3.502 1.00 0.00 H HETATM 29 H3 UNL 1 -3.085 1.603 -1.964 1.00 0.00 H HETATM 30 H4 UNL 1 -1.165 0.201 -2.477 1.00 0.00 H HETATM 31 H5 UNL 1 -0.012 1.513 -2.196 1.00 0.00 H HETATM 32 H6 UNL 1 -2.241 0.382 -0.496 1.00 0.00 H HETATM 33 H7 UNL 1 -2.542 3.524 2.818 1.00 0.00 H HETATM 34 H8 UNL 1 -2.761 4.572 1.392 1.00 0.00 H HETATM 35 H9 UNL 1 -1.127 4.083 1.860 1.00 0.00 H HETATM 36 H10 UNL 1 1.400 0.198 -1.491 1.00 0.00 H HETATM 37 H11 UNL 1 1.683 -1.110 -0.262 1.00 0.00 H HETATM 38 H12 UNL 1 1.937 0.575 1.518 1.00 0.00 H HETATM 39 H13 UNL 1 1.084 2.613 1.332 1.00 0.00 H HETATM 40 H14 UNL 1 1.135 2.655 -0.533 1.00 0.00 H HETATM 41 H15 UNL 1 2.561 2.942 0.464 1.00 0.00 H HETATM 42 H16 UNL 1 3.112 -1.089 1.228 1.00 0.00 H HETATM 43 H17 UNL 1 3.697 -1.369 -0.429 1.00 0.00 H HETATM 44 H18 UNL 1 4.860 -0.733 0.786 1.00 0.00 H HETATM 45 H19 UNL 1 5.287 1.249 0.434 1.00 0.00 H HETATM 46 H20 UNL 1 4.129 2.118 1.431 1.00 0.00 H HETATM 47 H21 UNL 1 4.283 2.423 -0.403 1.00 0.00 H HETATM 48 H22 UNL 1 1.050 -1.502 -2.333 1.00 0.00 H HETATM 49 H23 UNL 1 0.112 -3.243 -3.849 1.00 0.00 H HETATM 50 H24 UNL 1 -2.202 -4.063 -3.506 1.00 0.00 H HETATM 51 H25 UNL 1 -3.588 -3.172 -1.692 1.00 0.00 H HETATM 52 H26 UNL 1 -2.661 -1.484 -0.221 1.00 0.00 H HETATM 53 H27 UNL 1 -1.414 0.347 2.292 1.00 0.00 H HETATM 54 H28 UNL 1 -1.548 -1.088 4.238 1.00 0.00 H HETATM 55 H29 UNL 1 -0.618 -3.390 4.214 1.00 0.00 H HETATM 56 H30 UNL 1 0.438 -4.184 2.158 1.00 0.00 H HETATM 57 H31 UNL 1 0.568 -2.753 0.205 1.00 0.00 H CONECT 1 2 27 28 29 CONECT 2 3 30 31 CONECT 3 4 8 32 CONECT 4 5 CONECT 5 6 7 7 CONECT 6 33 34 35 CONECT 8 9 15 21 CONECT 9 10 36 37 CONECT 10 11 12 38 CONECT 11 39 40 41 CONECT 12 13 14 CONECT 13 42 43 44 CONECT 14 45 46 47 CONECT 15 16 16 20 CONECT 16 17 48 CONECT 17 18 18 49 CONECT 18 19 50 CONECT 19 20 20 51 CONECT 20 52 CONECT 21 22 22 26 CONECT 22 23 53 CONECT 23 24 24 54 CONECT 24 25 55 CONECT 25 26 26 56 CONECT 26 57 END