REMARK Name = BDB026181 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.113 -0.216 0.263 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.594 -1.502 0.070 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.382 -2.577 0.228 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.257 -1.724 -0.267 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.628 -0.655 -0.414 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.110 0.657 -0.245 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.233 0.866 0.095 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.996 -0.812 -0.702 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.429 -1.870 -1.635 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.836 -3.212 -0.951 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.455 -4.104 -2.041 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.752 -3.035 0.217 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.019 -4.317 0.882 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.163 -2.043 1.168 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.074 -1.767 2.375 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.888 -0.681 0.473 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 22 ATOM 17 C LIG 1 5.918 -0.380 0.206 0.00 0.00 +0.072 A ATOM 18 C LIG 1 6.225 0.450 1.284 0.00 0.00 +0.136 A ATOM 19 F LIG 1 7.497 0.694 1.637 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.217 1.058 2.027 0.00 0.00 +0.040 A ATOM 21 C LIG 1 3.878 0.839 1.695 0.00 0.00 +0.011 A ATOM 22 C LIG 1 3.527 0.009 0.617 0.00 0.00 -0.014 A ATOM 23 C LIG 1 4.567 -0.592 -0.118 0.00 0.00 +0.024 A BRANCH 17 27 ATOM 24 C LIG 1 9.350 -1.446 -1.031 0.00 0.00 +0.128 C ATOM 25 N LIG 1 8.273 -0.908 -0.240 0.00 0.00 -0.314 N ATOM 26 H LIG 1 8.503 -0.282 0.523 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 6.958 -1.049 -0.627 0.00 0.00 +0.247 C ATOM 28 O LIG 1 6.625 -1.692 -1.618 0.00 0.00 -0.270 OA ENDBRANCH 17 27 ENDBRANCH 1 22 BRANCH 6 29 ATOM 29 N LIG 1 -1.014 1.711 -0.497 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.915 1.374 -0.831 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.839 3.054 -0.286 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.120 3.615 0.230 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.027 3.862 -0.694 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -2.756 4.688 0.264 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -3.801 5.425 -0.158 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -4.210 5.407 -1.585 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.156 6.072 -1.986 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.462 4.601 -2.410 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.736 4.600 -3.386 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.393 3.851 -1.986 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.320 4.654 1.701 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -3.130 5.423 2.483 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.423 3.392 2.199 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6