REMARK  Name = BDB030913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.982  -0.166   0.310  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -4.123  -0.423  -1.071  0.00  0.00    +0.063 A 
ATOM      3 BR   LIG    1       -5.757  -1.057  -1.809  0.00  0.00    -0.046 Br
ATOM      4  C   LIG    1       -3.024  -0.204  -1.916  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -1.798   0.260  -1.440  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.921   0.378  -2.561  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.618  -0.048  -3.675  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1       -1.667   0.510  -0.060  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -2.885  -0.380  -3.276  0.00  0.00    -0.359 N 
ATOM     10  H   LIG    1       -3.619  -0.725  -3.882  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -2.758   0.295   0.797  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.473   0.790  -2.590  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1        0.919   1.910  -3.262  0.00  0.00    +0.062 A 
ATOM     14 BR   LIG    1       -0.164   3.113  -4.229  0.00  0.00    -0.047 Br
ATOM     15  C   LIG    1        2.270   2.143  -3.155  0.00  0.00    +0.131 A 
ATOM     16  N   LIG    1        3.116   1.359  -2.456  0.00  0.00    -0.222 NA
ATOM     17  C   LIG    1        2.589   0.294  -1.839  0.00  0.00    +0.216 A 
ATOM     18  N   LIG    1        1.291  -0.016  -1.871  0.00  0.00    -0.213 NA
BRANCH  17  19
ATOM     19  N   LIG    1        3.385  -0.563  -1.103  0.00  0.00    -0.309 N 
ATOM     20  H   LIG    1        2.760  -1.133  -0.546  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.519   0.028  -0.391  0.00  0.00    +0.087 C 
ATOM     22  C   LIG    1        5.470  -1.105   0.072  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        4.886  -1.976   1.107  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1        4.065  -2.434   0.713  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        4.497  -1.196   2.283  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1        3.513  -0.078   1.942  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1        4.051   0.830   0.835  0.00  0.00    +0.025 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   6  12
BRANCH   1  29
ATOM     28  C   LIG    1       -5.209  -0.217   2.496  0.00  0.00    +0.404 C 
ATOM     29  N   LIG    1       -5.095  -0.391   1.148  0.00  0.00    -0.250 N 
ATOM     30  H   LIG    1       -5.940  -0.729   0.707  0.00  0.00    +0.158 HD
ATOM     31  O   LIG    1       -4.362   0.178   3.281  0.00  0.00    -0.226 OA
BRANCH  28  33
ATOM     32  C   LIG    1       -6.741  -0.435   4.253  0.00  0.00    +0.282 C 
ATOM     33  O   LIG    1       -6.474  -0.567   2.856  0.00  0.00    -0.453 OA
ENDBRANCH  28  33
ENDBRANCH   1  29
TORSDOF 5