REMARK  Name = BDB040693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.134  -2.539   0.406  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -1.069  -2.653  -0.549  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.350  -1.274  -0.255  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.606  -1.314   0.977  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.557  -0.585  -0.493  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.441  -1.005  -1.492  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.632  -0.317  -1.723  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -5.453  -0.770  -2.681  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.983   0.812  -0.984  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.087   1.235  -0.002  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -4.370   2.319   0.736  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.893   0.556   0.244  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.274   1.549  -1.262  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -6.036   2.995  -1.692  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -5.063   3.354  -2.353  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -7.026   3.897  -1.376  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -6.874   4.841  -1.703  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.255   3.641  -0.824  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.114   4.515  -0.749  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.519   2.217  -0.399  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.225   1.494  -0.060  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.629  -2.527   0.284  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.418  -2.225  -0.258  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.447  -1.633  -1.076  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.806  -3.129   1.332  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        3.615  -2.049  -0.514  0.00  0.00    -0.444 OA
BRANCH  26  29
ATOM     27  N   LIG    1        6.167  -0.671   0.291  0.00  0.00    -0.308 N 
ATOM     28  C   LIG    1        5.444  -1.528   1.195  0.00  0.00    +0.153 C 
ATOM     29  C   LIG    1        4.953  -2.321  -0.029  0.00  0.00    +0.212 C 
ATOM     30  C   LIG    1        6.100  -1.632  -0.781  0.00  0.00    +0.153 C 
BRANCH  27  33
ATOM     31  C   LIG    1        6.417   1.076   2.762  0.00  0.00    +0.174 C 
ATOM     32  N   LIG    1        7.400   0.837   1.731  0.00  0.00    -0.254 N 
ATOM     33  C   LIG    1        7.267   0.069   0.594  0.00  0.00    +0.119 A 
ATOM     34  C   LIG    1        8.433   0.278  -0.116  0.00  0.00    +0.064 A 
ATOM     35  C   LIG    1        9.214   1.125   0.688  0.00  0.00    +0.136 A 
ATOM     36  N   LIG    1        8.598   1.460   1.822  0.00  0.00    -0.178 NA
ENDBRANCH  27  33
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 6