REMARK  Name = BDB012343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.313   1.887  -1.138  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.494   0.886  -1.689  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.244   1.506  -2.679  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.182   2.836  -2.692  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.122   3.078  -1.786  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.386   0.661   1.724  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.460   0.653   0.673  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.259   1.822  -0.050  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.947   2.961   0.252  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        3.833   2.940   1.268  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.088   1.822   2.030  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        3.011  -1.648   2.277  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        3.583  -0.594   2.485  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.487  -0.469   3.472  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.512  -1.357   3.888  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.521  -0.377  -1.245  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.369  -1.319  -1.851  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.766  -1.239  -1.274  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -1.967  -1.092   0.108  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.261  -1.032   0.663  0.00  0.00    +0.073 A 
ATOM     21  C   LIG    1       -4.359  -1.139  -0.197  0.00  0.00    +0.053 A 
ATOM     22 CL   LIG    1       -5.986  -1.083   0.381  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -4.170  -1.302  -1.572  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -2.882  -1.356  -2.108  0.00  0.00    +0.008 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -3.437  -0.861   2.148  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1       -4.093  -1.903   2.730  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.252  -0.763   2.819  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.129   0.264   2.479  0.00  0.00    -0.166 F 
ENDBRANCH  20  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7