REMARK  Name = BDB054650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.848  -0.494   0.284  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1        0.406  -1.114   0.554  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1        0.068  -2.413   0.891  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1       -1.292  -2.539   0.764  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -1.854  -1.375   0.358  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -1.865   5.016  -1.113  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -1.632   3.585  -0.727  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -0.868   3.272   0.403  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.628   1.940   0.750  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.132   0.901  -0.043  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.898   1.214  -1.172  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.139   2.547  -1.516  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1       -2.092  -3.695   0.992  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -3.480  -3.622   0.800  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.283  -4.744   1.017  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.707  -5.944   1.427  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.329  -6.025   1.621  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -1.519  -4.906   1.406  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   2  19
ATOM     19  C   LIG    1        1.778  -0.612   0.539  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1        1.992   0.439  -0.332  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.212   0.714  -0.915  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.635  -1.147   1.234  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.181   1.169  -0.534  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        3.139   2.196  -1.488  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        4.270   2.976  -1.748  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.450   2.732  -1.053  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        6.844   3.690  -1.369  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.506   1.718  -0.102  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        4.372   0.938   0.158  0.00  0.00    +0.025 A 
ENDBRANCH  20  23
ENDBRANCH   2  19
TORSDOF 4