REMARK  Name = BDB006895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.252  -1.044  -1.585  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.227  -1.937  -1.347  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.138  -1.744  -1.086  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.713  -2.945  -0.686  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.048  -2.963  -0.361  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.824  -1.860  -0.430  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.254  -0.695  -0.848  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.703  -4.063  -0.655  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.353  -4.427   0.793  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.167  -5.301  -1.423  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.913  -0.611  -1.226  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.495  -3.381  -1.362  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.286  -1.412  -2.156  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.099   0.404  -1.081  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.156   0.789   1.133  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.313   0.805  -0.342  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.861   2.102  -0.778  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.317   3.363  -0.039  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -3.396   4.022   0.827  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -1.105   3.115   0.764  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -0.359   2.874   0.109  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -1.275   1.961   1.671  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -1.674  -0.548   1.764  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.726  -1.743   1.498  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -2.323  -1.728   1.288  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.173   0.507  -0.929  0.00  0.00    +0.092 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.534   1.847  -0.616  0.00  0.00    -0.023 A 
ATOM     28  C   LIG    1        3.112   2.204   0.676  0.00  0.00    +0.045 A 
ATOM     29 CL   LIG    1        3.308   1.150   2.029  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        2.498   3.439   0.905  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        2.297   4.332  -0.147  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        2.714   3.995  -1.431  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.329   2.764  -1.664  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6