REMARK Name = BDB026224 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.429 1.155 0.018 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.343 -0.257 0.064 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.488 -1.043 -0.109 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.747 -0.455 -0.329 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.810 0.946 -0.359 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.983 1.565 -0.567 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.679 1.743 -0.189 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.770 4.449 -1.849 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.185 3.803 -0.587 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -1.735 4.752 0.469 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -1.274 6.052 -0.009 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -0.702 4.144 1.344 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -0.819 2.613 1.501 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -0.754 1.911 0.193 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -1.099 2.758 -0.975 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.948 -1.291 -0.516 0.00 0.00 -0.012 A ATOM 17 C LIG 1 3.948 -2.361 -1.428 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.084 -3.153 -1.606 0.00 0.00 +0.136 A ATOM 19 F LIG 1 5.012 -4.171 -2.475 0.00 0.00 -0.205 F ATOM 20 C LIG 1 6.244 -2.907 -0.876 0.00 0.00 +0.072 A ATOM 21 C LIG 1 6.266 -1.845 0.035 0.00 0.00 +0.016 A ATOM 22 C LIG 1 5.128 -1.049 0.210 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 7.440 -3.751 -1.087 0.00 0.00 +0.244 C ATOM 24 O LIG 1 7.744 -4.203 -2.182 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 8.206 -4.015 0.018 0.00 0.00 -0.325 N ATOM 26 H LIG 1 8.943 -4.696 -0.115 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 7.850 -3.889 0.955 0.00 0.00 +0.145 HD ENDBRANCH 20 23 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.946 -0.781 0.292 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.637 -0.046 0.436 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.338 -2.096 0.319 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.644 -3.083 0.107 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.804 -2.258 0.554 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -3.490 -1.868 1.776 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -4.817 -2.072 1.871 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -5.591 -2.685 0.757 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -6.802 -2.831 0.890 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.853 -3.050 -0.363 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -5.526 -3.682 -1.487 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -3.486 -2.839 -0.446 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -2.709 -1.289 2.915 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.301 -0.026 2.622 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -1.590 -2.010 3.183 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6