REMARK  Name = BDB044356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.503  -1.933   0.044  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.365  -0.733   0.260  0.00  0.00    +0.269 C 
ATOM      3  N   LIG    1       -0.182  -0.100   0.582  0.00  0.00    -0.278 N 
ATOM      4  H   LIG    1       -0.249   0.904   0.725  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.496   0.214   0.201  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -3.854  -0.066  -0.104  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -4.553  -1.330  -0.462  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -6.074  -1.179  -0.285  0.00  0.00    +0.080 C 
ATOM      9  C   LIG    1       -6.600   0.138  -0.867  0.00  0.00    +0.255 C 
ATOM     10  C   LIG    1       -5.938   1.399  -0.280  0.00  0.00    +0.130 C 
ATOM     11  F   LIG    1       -7.943   0.208  -0.659  0.00  0.00    -0.205 F 
ATOM     12  F   LIG    1       -6.430   0.125  -2.217  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.493   1.150  -0.043  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1       -3.550   2.072   0.284  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -3.661   3.074   0.413  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -2.326   1.535   0.449  0.00  0.00    -0.169 NA
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        1.040  -0.718   0.706  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1        2.204  -0.061   1.028  0.00  0.00    +0.132 A 
ATOM     19  N   LIG    1        3.188  -1.012   1.038  0.00  0.00    -0.265 N 
ATOM     20  N   LIG    1        2.732  -2.253   0.770  0.00  0.00    -0.177 NA
ATOM     21  C   LIG    1        1.425  -2.068   0.558  0.00  0.00    +0.157 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.597  -0.804   1.352  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.312  -0.044   0.262  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        5.469  -0.609  -1.014  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.133   0.091  -2.022  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.651   1.359  -1.766  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.505   1.929  -0.502  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.840   1.232   0.508  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   3  17
TORSDOF 4