REMARK  Name = BDB013005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.460   0.318  -0.095  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -1.655  -0.827  -0.327  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.296  -0.671  -0.201  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.242  -1.877  -0.539  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.718  -2.736  -0.799  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.304   0.539   0.162  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.439   1.597   0.350  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.919  -2.072  -0.662  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.807   1.459   0.216  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -8.142   0.506  -0.314  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -6.649   0.428  -0.264  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1       -5.990   0.304  -1.431  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1       -4.635   0.254  -1.387  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -3.949   0.097  -2.714  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1       -3.926   0.344  -0.195  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -4.709   0.478   0.940  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1       -6.056   0.532   0.937  0.00  0.00    -0.240 NA
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1        1.671   0.642   0.299  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.890   1.639   0.359  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.329  -0.018   1.427  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.790   0.329   1.442  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.664  -0.042   0.424  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.404  -0.751  -0.853  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.844  -1.046  -1.274  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.728  -0.109  -0.618  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.007   0.313   0.468  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.544   1.043   1.509  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.692   1.414   2.548  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.337   1.057   2.508  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.549   1.438   3.523  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4