REMARK Name = BDB026137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.206 1.122 -0.804 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.360 -0.117 -0.136 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.633 -0.613 0.165 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.791 0.106 -0.185 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.616 1.332 -0.845 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.683 2.074 -1.183 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.353 1.837 -1.154 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.477 4.026 0.759 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.735 3.431 -0.442 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.645 2.827 -1.450 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.442 1.722 -0.912 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.856 2.367 -2.625 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -1.334 2.160 -2.397 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.106 1.596 -1.054 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -1.579 2.495 0.038 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 4.131 -0.422 0.134 0.00 0.00 -0.014 A ATOM 17 C LIG 1 5.143 -0.482 -0.843 0.00 0.00 +0.024 A ATOM 18 C LIG 1 6.420 -0.991 -0.549 0.00 0.00 +0.072 A ATOM 19 C LIG 1 6.683 -1.444 0.743 0.00 0.00 +0.136 A ATOM 20 F LIG 1 7.885 -1.940 1.078 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.701 -1.398 1.727 0.00 0.00 +0.040 A ATOM 22 C LIG 1 4.435 -0.892 1.425 0.00 0.00 +0.011 A BRANCH 18 23 ATOM 23 C LIG 1 7.430 -1.026 -1.639 0.00 0.00 +0.244 C ATOM 24 O LIG 1 7.162 -0.645 -2.773 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 8.678 -1.497 -1.351 0.00 0.00 -0.325 N ATOM 26 H LIG 1 8.945 -1.833 -0.433 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 9.359 -1.524 -2.097 0.00 0.00 +0.145 HD ENDBRANCH 18 23 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.838 -0.800 0.158 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.652 -0.298 -0.189 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.006 -1.964 0.866 0.00 0.00 +0.249 C ATOM 31 O LIG 1 -0.148 -2.633 1.424 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.417 -2.417 0.959 0.00 0.00 +0.049 A ATOM 33 C LIG 1 -2.978 -2.771 2.199 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -4.309 -3.231 2.223 0.00 0.00 +0.051 A ATOM 35 C LIG 1 -5.046 -3.318 1.046 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -6.312 -3.751 1.093 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -4.490 -2.963 -0.176 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -3.171 -2.515 -0.225 0.00 0.00 +0.016 A BRANCH 33 39 ATOM 39 C LIG 1 -2.201 -2.663 3.488 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -1.331 -3.686 3.686 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.024 -2.679 4.580 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.500 -1.502 3.602 0.00 0.00 -0.166 F ENDBRANCH 33 39 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6