REMARK Name = BDB026088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.283 0.776 -0.348 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.715 -0.505 -0.116 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.327 -0.667 -0.004 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.543 0.422 -0.158 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -0.026 1.668 -0.447 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.751 2.744 -0.650 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.407 1.843 -0.545 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.924 2.882 2.171 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.004 2.093 1.420 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.756 2.832 0.387 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.454 4.010 0.878 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.050 3.020 -0.898 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.152 4.262 -0.981 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.326 1.740 -1.421 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.667 0.937 -0.380 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.426 0.762 0.872 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.008 0.228 -0.063 0.00 0.00 -0.038 C ATOM 18 C LIG 1 2.612 -0.999 -0.706 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.125 -0.852 -0.918 0.00 0.00 +0.111 C ATOM 20 N LIG 1 4.746 -0.368 0.325 0.00 0.00 -0.310 N ATOM 21 C LIG 1 4.293 0.968 0.734 0.00 0.00 +0.134 C ATOM 22 C LIG 1 2.800 1.102 0.587 0.00 0.00 -0.004 C BRANCH 20 23 ATOM 23 C LIG 1 6.157 -0.450 0.293 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.826 -0.702 -0.849 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 8.212 -0.784 -0.876 0.00 0.00 -0.152 NA ATOM 26 C LIG 1 8.940 -0.625 0.247 0.00 0.00 +0.067 A ATOM 27 C LIG 1 8.278 -0.386 1.444 0.00 0.00 +0.029 A ATOM 28 C LIG 1 6.885 -0.298 1.467 0.00 0.00 +0.047 A BRANCH 26 29 ATOM 29 C LIG 1 10.441 -0.740 0.182 0.00 0.00 +0.040 C ATOM 30 C LIG 1 11.316 0.435 0.559 0.00 0.00 +0.010 C ATOM 31 C LIG 1 11.210 0.018 -0.877 0.00 0.00 +0.010 C ENDBRANCH 26 29 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.623 -1.589 -0.088 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.569 -1.297 -0.320 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.361 -2.917 0.134 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -1.292 -3.426 0.447 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.581 -3.772 0.028 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -4.364 -3.945 -1.192 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -5.438 -4.761 -1.175 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -5.826 -5.479 0.065 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -6.808 -6.208 0.093 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -5.016 -5.268 1.152 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -5.266 -5.775 1.994 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -3.916 -4.446 1.141 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -3.935 -3.239 -2.441 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -2.622 -3.417 -2.717 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.155 -1.903 -2.345 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -4.622 -3.660 -3.535 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7