REMARK  Name = BDB020677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.108  -0.364   0.043  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        1.244   0.214   0.091  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        1.382   1.476   0.906  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        2.247  -0.403  -0.602  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1        1.908  -1.546  -1.380  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1        0.620  -2.088  -1.438  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        0.625  -3.197  -2.259  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        1.933  -3.327  -2.741  0.00  0.00    +0.036 A 
ATOM      9 BR   LIG    1        2.491  -4.661  -3.929  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1        2.701  -2.319  -2.213  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1       -0.402  -1.457  -0.684  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1       -2.139   0.892   0.029  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -1.945   1.015  -0.959  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -1.246   0.212   0.815  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -1.329   0.087   2.029  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -3.290   1.576   0.571  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1       -8.123  -0.245  -2.098  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1       -6.889   0.144  -1.344  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1       -6.067   1.074  -1.928  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -6.299   1.465  -2.833  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.900   1.536  -1.375  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1       -4.197   2.350  -1.964  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1       -4.530   0.987  -0.030  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -5.342   0.067   0.538  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1       -5.104  -0.592   1.867  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -6.553  -0.363  -0.149  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1        3.723   0.034  -0.586  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1        3.898   1.123  -1.662  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1        4.220   0.437   0.754  0.00  0.00    -0.292 NA
ATOM     30  C   LIG    1        4.212  -0.691   1.715  0.00  0.00    +0.100 C 
ATOM     31  C   LIG    1        4.571  -0.231   3.154  0.00  0.00    +0.096 C 
ATOM     32  N   LIG    1        5.308   1.046   3.229  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1        4.618   1.777   3.044  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1        6.267   1.102   2.114  0.00  0.00    +0.096 C 
ATOM     35  C   LIG    1        5.578   1.031   0.725  0.00  0.00    +0.100 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5