REMARK  Name = BDB034481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.627  -1.833  -3.174  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.204  -1.645  -3.007  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.535  -1.244  -1.869  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -0.194  -1.225  -2.232  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.179  -1.589  -3.595  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.397  -1.857  -4.065  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.909  -0.875  -1.360  0.00  0.00    -0.012 A 
ATOM      8  C   LIG    1        1.768   0.176  -1.711  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        2.836   0.529  -0.885  0.00  0.00    +0.090 A 
ATOM     10  N   LIG    1        3.669   1.601  -1.280  0.00  0.00    -0.229 NA
ATOM     11  C   LIG    1        4.673   1.957  -0.526  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1        4.920   1.254   0.699  0.00  0.00    +0.106 A 
ATOM     13  N   LIG    1        4.116   0.215   1.087  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1        4.595  -0.245   2.283  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1        5.656   0.431   2.674  0.00  0.00    -0.243 NA
ATOM     16  C   LIG    1        5.872   1.362   1.687  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        3.029  -0.196   0.305  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1        2.192  -1.251   0.670  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        1.132  -1.588  -0.173  0.00  0.00    +0.011 A 
BRANCH  11  20
ATOM     20  N   LIG    1        5.432   3.009  -0.952  0.00  0.00    -0.341 N 
ATOM     21  H   LIG    1        4.963   3.523  -1.691  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        5.795   3.610  -0.224  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -2.191  -0.920  -0.596  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -2.270   0.398  -0.101  0.00  0.00    +0.071 A 
ATOM     25  C   LIG    1       -2.883   0.671   1.158  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.420  -0.410   1.902  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1       -4.031  -0.179   3.145  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.123   1.109   3.670  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.605   2.181   2.958  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.342  -1.711   1.396  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -2.994   1.967   1.720  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -2.737  -1.953   0.169  0.00  0.00    +0.134 A 
ATOM     33  F   LIG    1       -2.684  -3.219  -0.272  0.00  0.00    -0.205 F 
BRANCH  24  34
ATOM     34  C   LIG    1       -1.748   1.486  -0.887  0.00  0.00    +0.101 C 
ATOM     35  N   LIG    1       -1.354   2.387  -1.504  0.00  0.00    -0.191 NA
ENDBRANCH  24  34
ENDBRANCH   3  23
TORSDOF 4