REMARK Name = BDB063735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.037 0.255 1.214 0.00 0.00 +0.135 C ENDROOT BRANCH 1 3 ATOM 2 O LIG 1 -0.066 0.717 -1.156 0.00 0.00 -0.291 OA ATOM 3 C LIG 1 0.524 0.207 -0.204 0.00 0.00 +0.174 C BRANCH 3 4 ATOM 4 C LIG 1 1.818 -0.491 -0.470 0.00 0.00 +0.018 A ATOM 5 C LIG 1 2.054 -0.963 -1.770 0.00 0.00 +0.013 A ATOM 6 C LIG 1 3.239 -1.638 -2.076 0.00 0.00 +0.020 A ATOM 7 C LIG 1 4.195 -1.836 -1.084 0.00 0.00 +0.041 A ATOM 8 CL LIG 1 5.655 -2.665 -1.454 0.00 0.00 -0.084 Cl ATOM 9 C LIG 1 3.977 -1.362 0.209 0.00 0.00 +0.020 A ATOM 10 C LIG 1 2.790 -0.687 0.519 0.00 0.00 +0.013 A ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 11 ATOM 11 C LIG 1 -1.143 1.295 1.407 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -2.146 1.079 2.089 0.00 0.00 -0.291 OA BRANCH 11 13 ATOM 13 C LIG 1 -0.998 2.663 0.843 0.00 0.00 +0.056 A ATOM 14 C LIG 1 0.244 3.292 0.726 0.00 0.00 +0.134 A ATOM 15 F LIG 1 1.367 2.688 1.137 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.345 4.580 0.199 0.00 0.00 +0.042 A ATOM 17 C LIG 1 -0.807 5.252 -0.206 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -2.046 4.630 -0.073 0.00 0.00 +0.124 A ATOM 19 F LIG 1 -3.151 5.282 -0.454 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -2.155 3.347 0.451 0.00 0.00 +0.052 A ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 1 21 ATOM 21 C LIG 1 -0.479 -1.151 1.686 0.00 0.00 +0.054 C BRANCH 21 22 ATOM 22 C LIG 1 -1.264 -1.971 0.684 0.00 0.00 -0.045 A ATOM 23 C LIG 1 -0.640 -3.011 -0.023 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -1.354 -3.749 -0.968 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -0.564 -5.005 -1.839 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -2.696 -3.473 -1.214 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -3.329 -2.453 -0.506 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -2.618 -1.708 0.438 0.00 0.00 +0.004 A ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6