REMARK  Name = BDB012566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.559  -0.833   0.332  0.00  0.00    -0.239 N 
ATOM      2  C   LIG    1       -0.120   0.103  -0.607  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.489  -0.458  -0.534  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.599  -1.498   0.345  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -2.936  -1.888   0.360  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.615  -1.066  -0.525  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -2.696  -0.210  -1.098  0.00  0.00    -0.340 N 
ATOM      8  C   LIG    1       -0.310  -1.774   0.921  0.00  0.00    +0.255 C 
ATOM      9  O   LIG    1       -0.086  -2.662   1.725  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  19
ATOM     10  C   LIG    1        4.729  -2.446   2.530  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.042  -1.560   1.537  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        4.707  -0.645   0.716  0.00  0.00    +0.134 A 
ATOM     13  N   LIG    1        6.030  -0.314   0.579  0.00  0.00    -0.128 NA
ATOM     14  N   LIG    1        6.124   0.636  -0.348  0.00  0.00    -0.063 NA
ATOM     15  N   LIG    1        4.875   0.895  -0.787  0.00  0.00    -0.230 N 
ATOM     16  C   LIG    1        4.656   1.899  -1.789  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1        3.948   0.116  -0.158  0.00  0.00    +0.180 A 
ATOM     18  N   LIG    1        2.614   0.090  -0.334  0.00  0.00    -0.211 NA
ATOM     19  C   LIG    1        1.966  -0.787   0.472  0.00  0.00    +0.131 A 
ATOM     20  C   LIG    1        2.638  -1.606   1.391  0.00  0.00    +0.049 A 
ENDBRANCH   1  19
BRANCH   2  21
ATOM     21  C   LIG    1       -0.067   1.560  -0.174  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1        0.405   2.534  -1.071  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.456   3.881  -0.702  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.039   4.266   0.569  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        0.102   5.924   1.023  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.429   3.318   1.475  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.481   1.971   1.105  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   7  28
ATOM     28  C   LIG    1       -3.005   0.881  -2.030  0.00  0.00    +0.138 C 
ATOM     29  C   LIG    1       -2.135   0.885  -3.293  0.00  0.00    +0.187 C 
ATOM     30  O   LIG    1       -3.310   0.996  -4.136  0.00  0.00    -0.376 OA
ATOM     31  C   LIG    1       -4.143   0.591  -3.017  0.00  0.00    +0.187 C 
ENDBRANCH   7  28
BRANCH   5  32
ATOM     32  C   LIG    1       -3.555  -3.017   1.204  0.00  0.00    +0.021 C 
ATOM     33  C   LIG    1       -4.757  -2.725   2.063  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -3.423  -2.967   2.703  0.00  0.00    +0.009 C 
ENDBRANCH   5  32
TORSDOF 4