REMARK Name = BDB025880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.031 -0.832 -0.070 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.555 -2.075 -0.519 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.418 -3.054 -0.837 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.805 -2.350 -0.650 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.747 -1.375 -0.325 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.294 -0.120 0.142 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.073 0.144 0.264 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.136 -1.580 -0.440 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.604 -1.983 -1.773 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.155 -1.830 -1.844 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.519 -0.359 -2.097 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.891 -2.274 -0.623 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -7.158 -2.909 -0.985 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.036 -3.114 0.252 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.746 -3.559 1.537 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.712 -2.384 0.664 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.225 -0.003 0.119 0.00 0.00 +0.121 A ATOM 18 N LIG 1 4.711 -0.653 -0.943 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 3.377 -0.908 -0.962 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.473 -0.544 0.032 0.00 0.00 +0.003 A ATOM 21 C LIG 1 3.025 0.138 1.119 0.00 0.00 +0.013 A ATOM 22 C LIG 1 4.396 0.411 1.160 0.00 0.00 +0.044 A BRANCH 17 29 ATOM 23 C LIG 1 8.889 2.019 -1.207 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.746 0.507 -1.056 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.456 0.005 0.089 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.765 0.093 1.345 0.00 0.00 +0.133 C ATOM 27 C LIG 1 8.923 1.469 1.987 0.00 0.00 +0.039 C ATOM 28 C LIG 1 7.293 -0.367 1.276 0.00 0.00 +0.137 C ATOM 29 N LIG 1 6.599 0.306 0.162 0.00 0.00 -0.310 N ATOM 30 C LIG 1 7.280 0.035 -1.120 0.00 0.00 +0.137 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.311 0.811 0.427 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.236 0.439 0.209 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.193 2.086 0.916 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.178 2.673 1.263 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.515 2.762 1.012 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.090 3.525 -0.087 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.302 4.092 0.070 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -6.049 3.941 1.346 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -7.153 4.445 1.500 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.424 3.201 2.318 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.933 3.103 3.186 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -4.186 2.626 2.165 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.302 3.652 -1.355 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -3.084 2.444 -1.932 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.949 4.402 -2.285 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.095 4.236 -1.163 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6