REMARK Name = BDB000712 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.022 -0.116 -0.096 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -3.441 1.028 -0.661 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -2.053 1.129 -0.795 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.216 0.098 -0.352 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -1.795 -1.048 0.206 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -3.183 -1.151 0.340 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 F LIG 1 -6.210 0.467 -0.884 0.00 0.00 -0.166 F ATOM 8 C LIG 1 -5.518 -0.217 0.070 0.00 0.00 +0.417 C ATOM 9 F LIG 1 -5.978 -1.499 0.012 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -5.941 0.278 1.266 0.00 0.00 -0.166 F ENDBRANCH 1 8 BRANCH 4 11 ATOM 11 C LIG 1 0.236 0.233 -0.538 0.00 0.00 +0.008 C ATOM 12 C LIG 1 1.143 -0.176 0.363 0.00 0.00 +0.008 C BRANCH 12 13 ATOM 13 C LIG 1 2.596 -0.043 0.180 0.00 0.00 -0.022 A ATOM 14 C LIG 1 3.175 1.093 -0.402 0.00 0.00 +0.028 A ATOM 15 C LIG 1 4.562 1.188 -0.530 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 5.254 2.588 -1.255 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 5.391 0.167 -0.075 0.00 0.00 +0.040 A ATOM 18 C LIG 1 4.819 -0.954 0.518 0.00 0.00 +0.043 A ATOM 19 CL LIG 1 5.830 -2.222 1.095 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 3.433 -1.062 0.653 0.00 0.00 +0.028 A ENDBRANCH 12 13 ENDBRANCH 4 11 TORSDOF 3