REMARK Name = BDB026228 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.524 -0.918 -0.680 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.056 0.370 -0.535 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.434 0.515 -0.320 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.289 -0.598 -0.287 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.707 -1.857 -0.483 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.473 -2.960 -0.486 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.335 -2.019 -0.682 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.058 -2.764 1.944 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.181 -2.147 1.097 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.821 -3.070 0.129 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.304 -4.307 0.732 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.939 -3.340 -1.020 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.475 -2.055 -1.737 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.914 -1.038 -0.826 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.711 -0.830 0.411 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.739 -0.437 -0.071 0.00 0.00 -0.010 A ATOM 17 C LIG 1 4.482 0.509 -0.792 0.00 0.00 +0.048 A ATOM 18 C LIG 1 5.859 0.659 -0.587 0.00 0.00 +0.139 A ATOM 19 F LIG 1 6.489 1.585 -1.324 0.00 0.00 -0.205 F ATOM 20 C LIG 1 6.543 -0.123 0.343 0.00 0.00 +0.107 A ATOM 21 C LIG 1 5.805 -1.061 1.064 0.00 0.00 +0.139 A ATOM 22 F LIG 1 6.389 -1.851 1.980 0.00 0.00 -0.205 F ATOM 23 C LIG 1 4.430 -1.220 0.865 0.00 0.00 +0.048 A BRANCH 20 24 ATOM 24 C LIG 1 8.005 0.060 0.533 0.00 0.00 +0.247 C ATOM 25 O LIG 1 8.663 0.853 -0.127 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 8.631 -0.696 1.485 0.00 0.00 -0.325 N ATOM 27 H LIG 1 9.628 -0.571 1.602 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 8.156 -1.383 2.058 0.00 0.00 +0.145 HD ENDBRANCH 20 24 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -0.819 1.472 -0.689 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.765 1.180 -0.925 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.498 2.807 -0.722 0.00 0.00 +0.249 C ATOM 32 O LIG 1 0.596 3.332 -0.574 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.643 3.690 -1.026 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -2.629 3.980 -0.069 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -3.689 4.824 -0.443 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -3.736 5.370 -1.724 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -4.753 6.174 -2.058 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -2.744 5.097 -2.658 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -1.689 4.256 -2.309 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -2.578 3.400 1.317 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.944 2.089 1.330 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.428 4.020 2.184 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.353 3.463 1.900 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6