REMARK Name = BDB025854 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.441 -1.117 -0.331 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.163 0.059 0.177 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.556 0.098 0.362 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.381 -1.003 0.063 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.759 -2.151 -0.437 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.483 -3.241 -0.733 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.383 -2.210 -0.633 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.838 -0.938 0.271 0.00 0.00 +0.007 A ATOM 9 C LIG 1 4.749 -1.350 -0.711 0.00 0.00 +0.061 A ATOM 10 C LIG 1 6.119 -1.277 -0.473 0.00 0.00 +0.182 A ATOM 11 O LIG 1 6.952 -1.705 -1.472 0.00 0.00 -0.483 OA ATOM 12 C LIG 1 8.296 -1.856 -0.999 0.00 0.00 +0.270 C ATOM 13 C LIG 1 8.695 -0.676 -0.127 0.00 0.00 +0.272 C ATOM 14 O LIG 1 7.888 -0.629 1.052 0.00 0.00 -0.470 OA ATOM 15 C LIG 1 6.556 -0.765 0.748 0.00 0.00 +0.258 A ATOM 16 N LIG 1 5.721 -0.368 1.726 0.00 0.00 -0.218 NA ATOM 17 C LIG 1 4.393 -0.462 1.464 0.00 0.00 +0.123 A ENDBRANCH 4 8 BRANCH 1 24 ATOM 18 C LIG 1 -3.935 -3.495 0.041 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -4.067 -1.979 0.260 0.00 0.00 +0.071 C ATOM 20 N LIG 1 -4.682 -1.226 -0.866 0.00 0.00 -0.300 NA ATOM 21 C LIG 1 -6.008 -1.716 -1.230 0.00 0.00 +0.105 C ATOM 22 C LIG 1 -3.788 -1.194 -2.044 0.00 0.00 +0.103 C ATOM 23 C LIG 1 -2.392 -0.614 -1.718 0.00 0.00 +0.120 C ATOM 24 N LIG 1 -1.810 -1.299 -0.552 0.00 0.00 -0.326 N ATOM 25 C LIG 1 -2.680 -1.373 0.635 0.00 0.00 +0.123 C ENDBRANCH 1 24 BRANCH 2 26 ATOM 26 N LIG 1 -0.663 1.168 0.468 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.635 1.033 0.224 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -0.312 2.360 1.057 0.00 0.00 +0.250 C ATOM 29 O LIG 1 0.778 2.695 1.497 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.473 3.285 1.185 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -2.010 4.060 0.073 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -3.064 4.872 0.287 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -3.672 4.983 1.637 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -4.637 5.708 1.839 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -3.084 4.226 2.619 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -3.488 4.317 3.546 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.008 3.400 2.411 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -1.352 3.945 -1.267 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -0.023 4.193 -1.219 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.877 4.809 -2.175 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.514 2.703 -1.790 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 5