REMARK  Name = BDB038764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.365  -1.205   0.913  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1        1.143  -0.598   0.588  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        0.167  -1.326  -0.121  0.00  0.00    +0.057 A 
ATOM      4  N   LIG    1       -1.032  -0.709  -0.536  0.00  0.00    -0.354 N 
ATOM      5  H   LIG    1       -1.807  -1.355  -0.707  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -1.369   0.545  -0.075  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -0.535   1.313   0.642  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1        0.438  -2.642  -0.511  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1        1.644  -3.235  -0.157  0.00  0.00    +0.129 A 
ATOM     10  F   LIG    1        1.885  -4.502  -0.519  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.815   0.801   0.980  0.00  0.00    +0.194 A 
ATOM     12  O   LIG    1        1.596   1.541   1.565  0.00  0.00    -0.287 OA
ATOM     13  C   LIG    1        2.606  -2.535   0.559  0.00  0.00    +0.085 A 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -2.714   1.067  -0.407  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -3.921   0.515   0.071  0.00  0.00    +0.097 A 
ATOM     16  C   LIG    1       -5.153   1.082  -0.284  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -5.194   2.199  -1.124  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -4.010   2.752  -1.618  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -2.781   2.187  -1.260  0.00  0.00    +0.030 A 
BRANCH  15  20
ATOM     20  S   LIG    1       -3.863  -0.930   1.112  0.00  0.00    -0.005 S 
ATOM     21  O   LIG    1       -3.392  -2.005   0.254  0.00  0.00    -0.170 OA
ATOM     22  O   LIG    1       -3.150  -0.548   2.314  0.00  0.00    -0.170 OA
ATOM     23  C   LIG    1       -5.516  -1.331   1.595  0.00  0.00    +0.200 C 
ENDBRANCH  15  20
BRANCH  18  24
ATOM     24  C   LIG    1       -4.056   3.890  -2.488  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1       -4.102   4.810  -3.193  0.00  0.00    -0.191 NA
ENDBRANCH  18  24
ENDBRANCH   6  14
BRANCH   1  26
ATOM     26  O   LIG    1        3.318  -0.538   1.642  0.00  0.00    -0.452 OA
BRANCH  26  31
ATOM     27  C   LIG    1        6.905   0.523  -1.495  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        6.094   0.335  -0.317  0.00  0.00    -0.271 N 
ATOM     29  N   LIG    1        6.584   0.694   0.886  0.00  0.00    -0.176 NA
ATOM     30  C   LIG    1        5.580   0.415   1.726  0.00  0.00    +0.180 A 
ATOM     31  C   LIG    1        4.477  -0.150   1.064  0.00  0.00    +0.166 A 
ATOM     32  C   LIG    1        4.832  -0.185  -0.264  0.00  0.00    +0.154 A 
ENDBRANCH  26  31
ENDBRANCH   1  26
TORSDOF 5