REMARK  Name = BDB058163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.454   0.365   0.357  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        1.988   1.548   0.818  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.404   2.338   1.046  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.336   1.788   0.906  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1        3.782   2.865   1.281  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.208   0.673   0.511  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        3.589  -0.496   0.058  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        4.391  -1.573  -0.328  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        5.784  -1.476  -0.261  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.372  -0.299   0.193  0.00  0.00    +0.124 A 
ATOM     11  F   LIG    1        7.707  -0.212   0.254  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        5.598   0.785   0.582  0.00  0.00    +0.053 A 
ATOM     13  N   LIG    1        2.194  -0.629  -0.024  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.848   0.044   0.102  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.245   0.878   1.064  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -0.854   0.994   1.163  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.030   0.276   0.293  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -0.613  -0.574  -0.652  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -2.005  -0.688  -0.747  0.00  0.00    +0.007 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.932  -0.628  -1.265  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.372  -0.059   0.045  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -4.894  -0.884   1.225  0.00  0.00    +0.046 C 
BRANCH  21  23
ATOM     23  O   LIG    1       -4.920   1.261   0.167  0.00  0.00    -0.385 OA
ATOM     24  H   LIG    1       -4.425   1.831  -0.448  0.00  0.00    +0.211 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3