REMARK  Name = BDB013003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.675   0.182   0.140  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        1.995  -0.592   1.121  0.00  0.00    +0.174 A 
ATOM      3  N   LIG    1        0.629  -0.461   1.186  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.232  -1.249   2.225  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.272  -1.875   2.729  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.102   0.365   0.328  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.520   1.092  -0.560  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.387  -1.455   2.037  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.897   0.982  -0.625  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.542   1.373  -0.601  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.239   0.696  -0.401  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        6.172  -0.637  -0.371  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.865  -0.907  -0.154  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.472  -2.298  -0.108  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        4.086   0.227  -0.068  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.969   1.280  -0.228  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1       -1.474   0.439   0.423  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.773   1.271  -0.084  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.278  -0.688  -0.042  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.719  -0.441   0.288  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.562   0.309  -0.527  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.287   1.026  -1.796  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.721   1.339  -2.223  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.574   1.319  -1.056  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.880   0.550  -0.159  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.418   0.071   1.019  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.593  -0.688   1.849  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.264  -0.933   1.482  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.495  -1.658   2.309  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4