REMARK Name = BDB026027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.607 -0.988 -0.259 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.550 -0.046 -0.300 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.785 -0.460 -0.213 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.127 -1.819 -0.093 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.067 -2.736 -0.071 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.293 -4.055 0.035 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.270 -2.335 -0.151 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 2.547 -2.217 -0.006 0.00 0.00 -0.023 C ATOM 9 C LIG 1 3.669 -1.219 -0.097 0.00 0.00 +0.145 C ATOM 10 N LIG 1 4.865 -2.029 0.062 0.00 0.00 -0.277 N ATOM 11 C LIG 1 6.159 -1.681 -0.225 0.00 0.00 +0.305 C ATOM 12 N LIG 1 6.494 -0.354 -0.340 0.00 0.00 -0.285 N ATOM 13 C LIG 1 5.834 0.805 0.245 0.00 0.00 +0.109 C ATOM 14 C LIG 1 6.910 1.883 0.315 0.00 0.00 +0.020 C ATOM 15 C LIG 1 7.836 1.515 -0.834 0.00 0.00 +0.020 C ATOM 16 C LIG 1 7.839 -0.003 -0.769 0.00 0.00 +0.109 C ATOM 17 O LIG 1 7.018 -2.553 -0.392 0.00 0.00 -0.252 OA ATOM 18 C LIG 1 4.544 -3.437 0.187 0.00 0.00 +0.137 C ATOM 19 C LIG 1 3.055 -3.446 0.168 0.00 0.00 -0.002 C ENDBRANCH 4 8 BRANCH 1 27 ATOM 20 C LIG 1 -4.842 -0.948 2.986 0.00 0.00 +0.026 C ATOM 21 C LIG 1 -4.285 -1.409 1.629 0.00 0.00 +0.071 C ATOM 22 N LIG 1 -5.352 -1.912 0.711 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 -6.076 -3.044 1.304 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -4.749 -2.285 -0.605 0.00 0.00 +0.071 C ATOM 25 C LIG 1 -5.817 -2.666 -1.644 0.00 0.00 +0.026 C ATOM 26 C LIG 1 -3.880 -1.154 -1.235 0.00 0.00 +0.123 C ATOM 27 N LIG 1 -2.929 -0.516 -0.308 0.00 0.00 -0.325 N ATOM 28 C LIG 1 -3.514 -0.208 1.014 0.00 0.00 +0.123 C ENDBRANCH 1 27 BRANCH 2 29 ATOM 29 N LIG 1 -0.939 1.303 -0.466 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.950 1.396 -0.553 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.141 2.412 -0.580 0.00 0.00 +0.250 C ATOM 32 O LIG 1 1.081 2.469 -0.541 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -0.930 3.653 -0.815 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -1.674 4.347 0.230 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -2.348 5.473 -0.081 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -2.337 6.003 -1.468 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -2.956 7.017 -1.762 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -1.599 5.285 -2.375 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -1.579 5.655 -3.319 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -0.904 4.142 -2.065 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -1.643 3.797 1.621 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.300 2.612 1.699 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.248 4.623 2.515 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.385 3.592 2.075 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 5