REMARK  Name = BDB012323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.470  -1.973  -1.034  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.080  -1.898  -1.212  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.269  -3.007  -1.958  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.931  -3.674  -2.220  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.982  -3.061  -1.688  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        2.795   0.739   1.163  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        1.879  -0.045   0.455  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.358  -1.111  -0.292  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        3.694  -1.393  -0.335  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        4.550  -0.632   0.375  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.154   0.443   1.140  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        1.255   1.760   2.648  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        2.270   1.853   1.981  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.007   2.977   1.879  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.681   2.967   1.174  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.644  -0.889  -0.716  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.061  -0.961  -0.883  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.685   0.278  -0.286  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -3.655   1.000  -0.999  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -4.243   2.139  -0.445  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -3.868   2.562   0.829  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1       -4.661   4.107   1.575  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -2.915   1.854   1.555  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -2.332   0.711   1.002  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6