REMARK Name = BDB026203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.715 -0.542 -0.089 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.130 0.643 0.410 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.260 0.811 0.393 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.112 -0.186 -0.117 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.506 -1.353 -0.608 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.248 -2.352 -1.112 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.877 -1.535 -0.599 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.675 -4.096 0.860 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.341 -2.900 -0.043 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.472 -2.372 -0.848 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.810 -2.616 -0.334 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.241 -0.987 -1.345 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.010 0.120 -0.600 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.729 -0.623 -1.401 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.126 -0.676 -0.045 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.593 -1.817 0.785 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.578 -0.003 -0.134 0.00 0.00 -0.022 C ATOM 18 C LIG 1 3.520 -1.040 -0.679 0.00 0.00 +0.147 C ATOM 19 N LIG 1 4.815 -0.423 -0.483 0.00 0.00 -0.259 N ATOM 20 C LIG 1 5.972 -1.051 -0.853 0.00 0.00 +0.404 C ATOM 21 O LIG 1 6.010 -2.162 -1.367 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 4.741 0.883 0.126 0.00 0.00 +0.139 C ATOM 23 C LIG 1 3.274 1.059 0.310 0.00 0.00 -0.002 C BRANCH 20 24 ATOM 24 O LIG 1 7.069 -0.291 -0.576 0.00 0.00 -0.444 OA BRANCH 24 25 ATOM 25 C LIG 1 8.358 -0.848 -0.937 0.00 0.00 +0.112 C ATOM 26 C LIG 1 8.749 -2.203 -0.268 0.00 0.00 +0.048 C ATOM 27 C LIG 1 10.146 -1.624 0.007 0.00 0.00 +0.008 C ATOM 28 C LIG 1 9.533 -0.220 -0.121 0.00 0.00 +0.048 C ATOM 29 C LIG 1 8.580 -0.746 -2.445 0.00 0.00 +0.056 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.035 1.603 0.909 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.004 1.310 0.791 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.758 2.797 1.527 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.658 3.257 1.809 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.994 3.522 1.944 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.953 4.112 1.016 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -5.037 4.746 1.507 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.258 4.848 2.973 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.247 5.409 3.423 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.290 4.281 3.762 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.428 4.364 4.763 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.181 3.637 3.269 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.694 4.035 -0.457 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.866 2.764 -0.907 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.423 4.393 -0.768 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7