REMARK Name = BDB065050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.569 0.973 -3.661 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -0.606 0.647 -2.483 0.00 0.00 +0.193 A ATOM 3 C LIG 1 0.600 0.576 -1.646 0.00 0.00 +0.064 A ATOM 4 C LIG 1 0.468 0.195 -0.315 0.00 0.00 +0.140 A ATOM 5 C LIG 1 1.596 0.117 0.505 0.00 0.00 +0.055 A ATOM 6 C LIG 1 2.868 0.425 -0.003 0.00 0.00 -0.011 A ATOM 7 C LIG 1 2.986 0.806 -1.350 0.00 0.00 +0.009 A ATOM 8 O LIG 1 -0.741 -0.116 0.254 0.00 0.00 -0.455 OA ATOM 9 C LIG 1 -1.878 -0.059 -0.538 0.00 0.00 +0.139 A ATOM 10 C LIG 1 1.857 0.882 -2.171 0.00 0.00 +0.016 A ATOM 11 C LIG 1 -1.879 0.301 -1.831 0.00 0.00 +0.098 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 -3.125 -0.407 0.170 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.348 0.074 1.471 0.00 0.00 +0.014 A ATOM 14 C LIG 1 -4.518 -0.254 2.162 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -5.464 -1.069 1.557 0.00 0.00 +0.123 A ATOM 16 F LIG 1 -6.585 -1.385 2.219 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -5.264 -1.566 0.275 0.00 0.00 +0.039 A ATOM 18 C LIG 1 -4.095 -1.238 -0.417 0.00 0.00 +0.014 A ENDBRANCH 9 12 BRANCH 6 19 ATOM 19 C LIG 1 4.035 0.336 0.860 0.00 0.00 +0.020 A ATOM 20 C LIG 1 5.162 1.126 0.740 0.00 0.00 +0.203 A ATOM 21 O LIG 1 6.075 0.816 1.696 0.00 0.00 -0.470 OA ATOM 22 C LIG 1 5.537 -0.177 2.447 0.00 0.00 +0.195 A ATOM 23 C LIG 1 4.286 -0.505 1.981 0.00 0.00 +0.049 A ENDBRANCH 6 19 TORSDOF 2