REMARK  Name = BDB013173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.575  -0.616   0.028  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.661  -0.934   1.078  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.326  -0.713   0.844  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.321  -1.154   1.960  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.553  -1.568   2.849  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.166  -0.181  -0.350  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.658   0.078  -1.327  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.806  -1.429   2.293  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.004  -0.154  -1.109  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1        5.028   1.284  -1.043  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.022  -0.020  -0.330  0.00  0.00    +0.044 A 
ATOM     12  N   LIG    1        6.180  -0.678   0.017  0.00  0.00    -0.271 N 
ATOM     13  C   LIG    1        7.539  -0.275  -0.265  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.971  -1.811   0.709  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        4.643  -1.888   0.802  0.00  0.00    +0.143 A 
ATOM     16  C   LIG    1        3.993  -0.821   0.143  0.00  0.00    +0.027 A 
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  N   LIG    1       -1.514   0.048  -0.526  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.657   0.232  -1.521  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.156   1.133   0.215  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.598   1.239  -0.187  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.537   0.254   0.108  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.396  -1.011   0.869  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.732  -1.666   0.517  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.671  -0.640   0.125  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.870   0.404  -0.259  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.331   1.519  -0.929  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.407   2.511  -1.249  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.062   2.365  -0.880  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.205   3.345  -1.200  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4