REMARK  Name = BDB030323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.661   0.564  -0.759  0.00  0.00    -0.270 N 
ATOM      2  C   LIG    1       -4.575  -0.472   0.237  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.435  -1.279   0.456  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -3.450  -2.272   1.460  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -4.573  -2.481   2.255  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -5.700  -1.705   2.039  0.00  0.00    +0.020 A 
ATOM      7 BR   LIG    1       -7.241  -1.974   3.101  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -2.200  -1.271  -0.377  0.00  0.00    +0.249 C 
ATOM      9  O   LIG    1       -1.632  -2.339  -0.599  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1       -1.717  -0.068  -0.853  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1       -2.279   1.192  -0.415  0.00  0.00    +0.204 C 
ATOM     12  C   LIG    1       -5.707  -0.722   1.045  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -3.585   1.360  -1.166  0.00  0.00    +0.237 C 
ATOM     14  O   LIG    1       -3.674   2.195  -2.071  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -6.630   2.095  -0.859  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -5.951   0.843  -1.403  0.00  0.00    +0.110 C 
ENDBRANCH   1  16
BRANCH  10  17
ATOM     17  C   LIG    1       -0.466  -0.049  -1.615  0.00  0.00    +0.141 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.780   0.046  -0.706  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.819   1.359  -0.115  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.008   1.997  -0.824  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.069  -0.217  -1.529  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.283  -0.515  -0.741  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.620   0.552   0.220  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        4.983   0.407   0.870  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.959  -0.451   0.337  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.215  -0.548   0.950  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.511   0.224   2.073  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.554   1.091   2.594  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.626  -1.310  -0.854  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.297   1.183   1.996  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.423  -0.771  -1.636  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH  10  17
TORSDOF 6