REMARK Name = BDB026145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.839 0.194 -0.746 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.466 -0.205 -0.345 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.576 0.539 -0.746 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.410 1.704 -1.512 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.122 2.099 -1.879 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.061 3.210 -2.609 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.994 1.358 -1.507 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.417 -0.221 2.558 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.719 -0.940 1.392 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.694 -1.394 0.346 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.626 -2.387 0.898 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.955 -1.951 -0.832 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.892 -2.316 -1.994 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.893 -0.953 -1.385 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.935 -0.600 -0.316 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.636 0.028 0.827 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.588 2.474 -1.951 0.00 0.00 +0.004 A ATOM 18 C LIG 1 3.050 2.482 -3.332 0.00 0.00 +0.054 A ATOM 19 C LIG 1 4.135 3.180 -3.687 0.00 0.00 +0.188 A ATOM 20 F LIG 1 4.586 3.200 -4.956 0.00 0.00 -0.200 F ATOM 21 C LIG 1 4.891 3.976 -2.679 0.00 0.00 +0.284 A ATOM 22 O LIG 1 5.887 4.633 -2.959 0.00 0.00 -0.265 OA ATOM 23 N LIG 1 4.384 3.921 -1.396 0.00 0.00 -0.326 N ATOM 24 H LIG 1 4.889 4.461 -0.701 0.00 0.00 +0.168 HD ATOM 25 C LIG 1 3.270 3.195 -1.039 0.00 0.00 +0.094 A ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 0.509 -1.390 0.416 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -0.401 -1.852 0.447 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 1.460 -2.051 1.126 0.00 0.00 +0.250 C ATOM 29 O LIG 1 1.229 -3.166 1.592 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 2.772 -1.421 1.391 0.00 0.00 +0.065 A ATOM 31 C LIG 1 2.972 -0.385 2.399 0.00 0.00 +0.073 A ATOM 32 C LIG 1 4.209 0.119 2.585 0.00 0.00 +0.083 A ATOM 33 C LIG 1 5.356 -0.376 1.782 0.00 0.00 +0.249 A ATOM 34 O LIG 1 6.476 0.096 1.923 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 5.072 -1.380 0.891 0.00 0.00 -0.328 N ATOM 36 H LIG 1 5.862 -1.738 0.363 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 3.818 -1.907 0.703 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 1.805 0.056 3.229 0.00 0.00 +0.418 C ATOM 39 F LIG 1 0.930 0.811 2.516 0.00 0.00 -0.166 F ATOM 40 F LIG 1 1.109 -0.978 3.755 0.00 0.00 -0.166 F ATOM 41 F LIG 1 2.195 0.828 4.280 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 5