REMARK  Name = BDB012333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.065  -1.834   0.252  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.216  -1.514  -0.232  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        1.053  -2.513   0.230  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.235  -3.390   0.946  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.035  -3.006   0.958  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -3.648   0.717  -0.651  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.400   0.087  -0.554  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.318  -1.131   0.109  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -3.425  -1.708   0.660  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -4.613  -1.082   0.551  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.777   0.124  -0.092  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -4.869   2.614  -1.480  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -3.818   2.018  -1.338  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -2.662   2.515  -1.813  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -2.927   3.360  -2.234  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.443  -0.426  -0.979  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.781  -0.191  -1.427  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.632   0.476  -0.369  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1        3.969   0.086  -0.190  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        4.764   0.714   0.772  0.00  0.00    +0.076 A 
ATOM     21 CL   LIG    1        6.397   0.210   0.977  0.00  0.00    -0.081 Cl
ATOM     22  C   LIG    1        4.232   1.737   1.552  0.00  0.00    +0.142 A 
ATOM     23  F   LIG    1        4.980   2.353   2.480  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        2.913   2.145   1.378  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        2.116   1.520   0.417  0.00  0.00    +0.010 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6