REMARK Name = BDB047246 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.135 -2.838 -0.174 0.00 0.00 +0.068 C ATOM 2 C LIG 1 1.362 -1.366 -0.124 0.00 0.00 +0.065 A ATOM 3 N LIG 1 2.608 -0.746 -0.049 0.00 0.00 -0.291 N ATOM 4 C LIG 1 2.403 0.618 0.219 0.00 0.00 +0.059 A ATOM 5 C LIG 1 1.027 0.867 0.181 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.569 2.194 0.337 0.00 0.00 +0.059 A ATOM 7 C LIG 1 1.468 3.247 0.547 0.00 0.00 +0.131 A ATOM 8 C LIG 1 2.830 2.978 0.590 0.00 0.00 +0.048 A ATOM 9 C LIG 1 3.315 1.675 0.418 0.00 0.00 +0.030 A ATOM 10 C LIG 1 0.397 -0.387 -0.016 0.00 0.00 +0.157 A ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 3.888 -1.370 -0.213 0.00 0.00 +0.189 A ATOM 12 C LIG 1 4.279 -2.416 -1.088 0.00 0.00 +0.066 A ATOM 13 C LIG 1 5.608 -2.627 -0.750 0.00 0.00 +0.171 A ATOM 14 C LIG 1 6.438 -3.580 -1.336 0.00 0.00 +0.069 A ATOM 15 C LIG 1 5.865 -4.344 -2.354 0.00 0.00 +0.045 A ATOM 16 C LIG 1 4.545 -4.145 -2.761 0.00 0.00 +0.021 A ATOM 17 CL LIG 1 6.819 -5.544 -3.139 0.00 0.00 -0.083 Cl ATOM 18 O LIG 1 5.976 -1.755 0.225 0.00 0.00 -0.353 OA ATOM 19 C LIG 1 3.739 -3.175 -2.144 0.00 0.00 +0.017 A ATOM 20 N LIG 1 4.905 -0.940 0.544 0.00 0.00 -0.059 NA ENDBRANCH 3 11 BRANCH 7 21 ATOM 21 O LIG 1 0.875 4.469 0.689 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 1.713 5.591 0.908 0.00 0.00 +0.575 C ATOM 23 F LIG 1 2.559 5.779 -0.127 0.00 0.00 -0.133 F ATOM 24 F LIG 1 2.420 5.456 2.051 0.00 0.00 -0.133 F ATOM 25 F LIG 1 0.940 6.694 1.022 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 7 21 BRANCH 10 26 ATOM 26 O LIG 1 -0.920 -0.690 -0.100 0.00 0.00 -0.454 OA BRANCH 26 27 ATOM 27 C LIG 1 -1.846 -0.074 0.704 0.00 0.00 +0.132 A ATOM 28 C LIG 1 -3.030 0.351 0.104 0.00 0.00 +0.093 A ATOM 29 C LIG 1 -4.025 0.945 0.882 0.00 0.00 +0.143 A ATOM 30 C LIG 1 -3.821 1.145 2.253 0.00 0.00 +0.083 A ATOM 31 CL LIG 1 -4.993 1.941 3.237 0.00 0.00 -0.080 Cl ATOM 32 C LIG 1 -2.642 0.697 2.853 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -1.658 0.074 2.081 0.00 0.00 +0.048 A BRANCH 29 34 ATOM 34 O LIG 1 -5.154 1.389 0.243 0.00 0.00 -0.476 OA BRANCH 34 35 ATOM 35 C LIG 1 -6.230 0.448 0.347 0.00 0.00 +0.278 C ATOM 36 C LIG 1 -7.533 1.238 0.306 0.00 0.00 +0.064 C BRANCH 35 37 ATOM 37 C LIG 1 -6.263 -0.587 -0.776 0.00 0.00 +0.346 C ATOM 38 O LIG 1 -6.748 -1.706 -0.699 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 -5.739 -0.161 -1.944 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 -5.869 -0.915 -2.556 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 26 27 ENDBRANCH 10 26 TORSDOF 9