REMARK Name = BDB064108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.438 -1.008 1.821 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.851 -0.504 0.866 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -0.509 -0.692 0.629 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.238 -1.498 1.616 0.00 0.00 +0.184 C ATOM 5 C LIG 1 -2.708 -1.292 1.494 0.00 0.00 +0.151 A ATOM 6 N LIG 1 -3.664 -1.805 2.238 0.00 0.00 -0.132 NA ATOM 7 N LIG 1 -4.869 -1.364 1.738 0.00 0.00 -0.126 NA ATOM 8 C LIG 1 -4.630 -0.574 0.710 0.00 0.00 +0.200 A ATOM 9 N LIG 1 -3.281 -0.534 0.504 0.00 0.00 -0.306 N ATOM 10 C LIG 1 -2.520 0.101 -0.547 0.00 0.00 +0.144 C ATOM 11 C LIG 1 -1.147 -0.554 -0.684 0.00 0.00 +0.130 C ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 1.648 0.335 -0.047 0.00 0.00 +0.072 A ATOM 13 C LIG 1 1.264 1.640 -0.347 0.00 0.00 +0.135 A ATOM 14 F LIG 1 0.121 2.151 0.135 0.00 0.00 -0.205 F ATOM 15 C LIG 1 2.052 2.434 -1.173 0.00 0.00 +0.039 A ATOM 16 C LIG 1 3.247 1.927 -1.689 0.00 0.00 +0.007 A ATOM 17 C LIG 1 3.673 0.628 -1.367 0.00 0.00 -0.041 A ATOM 18 C LIG 1 2.856 -0.169 -0.548 0.00 0.00 +0.020 A BRANCH 17 19 ATOM 19 C LIG 1 4.965 0.097 -1.952 0.00 0.00 +0.093 C BRANCH 19 20 ATOM 20 C LIG 1 5.770 -0.784 -1.005 0.00 0.00 +0.074 A ATOM 21 C LIG 1 6.540 -0.173 0.108 0.00 0.00 +0.011 A ATOM 22 C LIG 1 7.252 -1.038 0.937 0.00 0.00 +0.050 A ATOM 23 C LIG 1 8.002 -0.543 2.011 0.00 0.00 +0.014 A ATOM 24 C LIG 1 8.037 0.829 2.256 0.00 0.00 +0.001 A ATOM 25 C LIG 1 7.328 1.700 1.430 0.00 0.00 +0.001 A ATOM 26 C LIG 1 7.209 -2.485 0.672 0.00 0.00 +0.272 A ATOM 27 O LIG 1 7.829 -3.282 1.367 0.00 0.00 -0.266 OA ATOM 28 N LIG 1 6.441 -2.881 -0.395 0.00 0.00 -0.242 N ATOM 29 H LIG 1 6.398 -3.877 -0.589 0.00 0.00 +0.192 HD ATOM 30 C LIG 1 6.580 1.204 0.357 0.00 0.00 +0.010 A ATOM 31 N LIG 1 5.736 -2.067 -1.224 0.00 0.00 -0.175 NA ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 2 12 BRANCH 8 32 ATOM 32 C LIG 1 -5.655 0.090 -0.035 0.00 0.00 +0.172 A ATOM 33 O LIG 1 -6.934 -0.407 -0.094 0.00 0.00 -0.450 OA ATOM 34 C LIG 1 -7.695 0.439 -0.845 0.00 0.00 +0.176 A ATOM 35 C LIG 1 -6.918 1.490 -1.282 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -5.620 1.272 -0.759 0.00 0.00 +0.053 A BRANCH 34 37 ATOM 37 C LIG 1 -9.134 0.093 -1.036 0.00 0.00 +0.328 C ATOM 38 F LIG 1 -9.879 1.230 -1.156 0.00 0.00 -0.194 F ATOM 39 F LIG 1 -9.296 -0.570 -2.220 0.00 0.00 -0.194 F BRANCH 37 40 ATOM 40 C LIG 1 -9.722 -0.777 0.088 0.00 0.00 +0.239 C BRANCH 40 41 ATOM 41 O LIG 1 -9.556 -0.241 1.408 0.00 0.00 -0.389 OA ATOM 42 H LIG 1 -8.605 -0.310 1.624 0.00 0.00 +0.210 HD ENDBRANCH 40 41 ENDBRANCH 37 40 ENDBRANCH 34 37 ENDBRANCH 8 32 TORSDOF 7