REMARK  Name = BDB049829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.083   1.270   1.069  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -2.371   1.499   2.396  0.00  0.00    -0.334 N 
ATOM      3  H   LIG    1       -1.971   2.254   2.938  0.00  0.00    +0.168 HD
ATOM      4  C   LIG    1       -3.263   0.554   2.826  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -3.521  -0.223   1.699  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.430  -1.298   1.804  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -5.033  -1.552   3.049  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -4.742  -0.750   4.147  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -5.334  -1.013   5.319  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.855   0.324   4.069  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -2.786   0.244   0.622  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1  17
ATOM     12  N   LIG    1        1.852   0.690  -1.462  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1        1.696   2.088  -1.515  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1        2.651   2.854  -1.651  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        0.254   2.629  -1.598  0.00  0.00    +0.204 C 
ATOM     16  N   LIG    1       -0.731   1.761  -0.956  0.00  0.00    -0.285 N 
ATOM     17  C   LIG    1       -1.159   2.123   0.329  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -0.764   3.166   0.854  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1       -0.629   0.384  -1.425  0.00  0.00    +0.127 C 
ATOM     20  C   LIG    1        0.737  -0.162  -1.011  0.00  0.00    +0.127 C 
BRANCH  12  21
ATOM     21  C   LIG    1        3.233   0.149  -1.390  0.00  0.00    +0.076 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.700  -1.279  -2.937  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        3.364  -1.150  -2.215  0.00  0.00    +0.019 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1        3.657   0.001   0.089  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1        5.122  -0.342   0.299  0.00  0.00    +0.006 C 
ENDBRANCH  21  24
ENDBRANCH  12  21
ENDBRANCH   1  17
BRANCH   6  26
ATOM     26  C   LIG    1       -4.771  -2.162   0.651  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -5.515  -3.127   0.774  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1       -4.238  -1.837  -0.561  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1       -4.520  -2.371  -1.371  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -3.683  -0.994  -0.683  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 5