REMARK Name = BDB026168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.379 -0.473 0.511 0.00 0.00 +0.038 A ATOM 2 C LIG 1 1.145 0.909 0.470 0.00 0.00 +0.134 A ATOM 3 F LIG 1 2.138 1.779 0.717 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.121 1.440 0.213 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.207 0.593 -0.017 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.994 -0.805 0.035 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.280 -1.323 0.286 0.00 0.00 +0.038 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.521 1.063 -0.244 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.231 1.422 1.014 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.509 2.950 1.128 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.270 3.225 2.429 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.280 3.506 -0.022 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -3.965 4.921 -0.227 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.041 2.732 -1.263 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.654 2.059 -1.329 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 18 ATOM 16 C LIG 1 4.989 -0.879 0.319 0.00 0.00 +0.218 A ATOM 17 N LIG 1 3.739 -0.428 0.123 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 2.719 -1.020 0.779 0.00 0.00 +0.079 A ATOM 19 C LIG 1 2.925 -2.086 1.629 0.00 0.00 +0.048 A ATOM 20 C LIG 1 4.225 -2.495 1.766 0.00 0.00 +0.116 A ATOM 21 N LIG 1 5.256 -1.913 1.133 0.00 0.00 -0.223 NA BRANCH 16 27 ATOM 22 C LIG 1 6.962 1.079 -3.053 0.00 0.00 +0.039 C ATOM 23 C LIG 1 6.919 1.668 -1.643 0.00 0.00 +0.133 C ATOM 24 O LIG 1 8.186 1.523 -0.974 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.455 0.163 -0.602 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.348 -0.432 0.279 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.041 -0.275 -0.374 0.00 0.00 -0.295 N ATOM 28 C LIG 1 5.754 1.104 -0.800 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 18 BRANCH 6 29 ATOM 29 N LIG 1 -2.136 -1.600 -0.190 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.958 -1.034 -0.396 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.256 -2.962 -0.095 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.396 -3.779 0.198 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.646 -3.413 -0.372 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.637 -3.596 0.683 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.881 -3.997 0.352 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -6.240 -4.254 -1.067 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -7.367 -4.617 -1.378 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.237 -4.051 -1.985 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -5.478 -4.240 -2.952 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.968 -3.643 -1.656 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -4.231 -3.322 2.100 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.799 -2.043 2.262 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.241 -4.143 2.526 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -5.265 -3.483 2.968 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6