REMARK Name = BDB026138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.079 0.923 0.082 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.128 -0.450 -0.193 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.416 -0.938 -0.442 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.534 -0.083 -0.419 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.305 1.273 -0.138 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.333 2.135 -0.089 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.028 1.774 0.110 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.830 3.879 -1.240 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.165 3.079 -0.115 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -2.953 3.821 1.160 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -2.762 5.263 1.026 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.843 3.239 1.953 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -1.644 1.721 1.755 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.399 1.370 0.332 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -1.875 2.386 -0.640 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.890 -0.605 -0.675 0.00 0.00 -0.012 A ATOM 17 C LIG 1 4.359 -1.758 -0.024 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.644 -2.249 -0.266 0.00 0.00 +0.136 A ATOM 19 F LIG 1 6.042 -3.333 0.414 0.00 0.00 -0.205 F ATOM 20 C LIG 1 6.495 -1.604 -1.159 0.00 0.00 +0.072 A ATOM 21 C LIG 1 6.045 -0.460 -1.827 0.00 0.00 +0.016 A ATOM 22 C LIG 1 4.756 0.031 -1.583 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 7.850 -2.144 -1.407 0.00 0.00 +0.244 C ATOM 24 O LIG 1 8.094 -3.342 -1.408 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 8.842 -1.227 -1.634 0.00 0.00 -0.325 N ATOM 26 H LIG 1 8.739 -0.255 -1.381 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 9.782 -1.602 -1.673 0.00 0.00 +0.145 HD ENDBRANCH 20 23 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.032 -1.252 -0.186 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.865 -0.707 0.035 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.139 -2.589 -0.474 0.00 0.00 +0.249 C ATOM 31 O LIG 1 -0.261 -3.353 -0.851 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.513 -3.126 -0.349 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -3.185 -3.180 0.885 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -4.495 -3.691 0.906 0.00 0.00 +0.051 A ATOM 35 C LIG 1 -5.090 -4.153 -0.265 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -6.337 -4.639 -0.221 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -4.410 -4.125 -1.476 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -3.114 -3.613 -1.520 0.00 0.00 +0.016 A BRANCH 33 39 ATOM 39 C LIG 1 -2.540 -2.711 2.160 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -1.261 -3.139 2.320 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.205 -3.127 3.276 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.508 -1.353 2.246 0.00 0.00 -0.166 F ENDBRANCH 33 39 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6