REMARK  Name = BDB000124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.097   2.776   1.984  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1        1.399   2.398   1.739  0.00  0.00    -0.266 N 
ATOM      3  H   LIG    1        2.076   3.057   2.110  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.143   3.731   2.719  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.887   1.218   1.218  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        3.189   0.887   0.953  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        4.554   1.419   0.997  0.00  0.00    +0.149 C 
ATOM      8  N   LIG    1        5.332   0.270   0.473  0.00  0.00    -0.285 N 
ATOM      9  C   LIG    1        4.504  -0.918   0.121  0.00  0.00    +0.166 C 
ATOM     10  C   LIG    1        6.708   0.393   0.362  0.00  0.00    +0.283 C 
ATOM     11  O   LIG    1        7.245   1.452   0.699  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        3.164  -0.414   0.466  0.00  0.00    +0.087 A 
ATOM     13  N   LIG    1        1.949  -0.941   0.413  0.00  0.00    -0.175 NA
ATOM     14  N   LIG    1        1.179   0.072   0.894  0.00  0.00    -0.263 N 
ATOM     15  H   LIG    1        0.185  -0.103   0.985  0.00  0.00    +0.190 HD
BRANCH  10  16
ATOM     16  C   LIG    1        7.503  -0.715  -0.147  0.00  0.00    +0.189 A 
ATOM     17  O   LIG    1        6.936  -1.901  -0.531  0.00  0.00    -0.458 OA
ATOM     18  C   LIG    1        7.934  -2.717  -0.953  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        9.148  -2.085  -0.852  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        8.873  -0.797  -0.334  0.00  0.00    +0.054 A 
ENDBRANCH  10  16
ENDBRANCH   2   5
BRANCH   1  24
ATOM     21  C   LIG    1       -3.225   0.743   0.143  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -3.113   0.876   1.539  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -2.039   1.545   2.139  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -1.034   2.084   1.343  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -1.125   2.002  -0.045  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -2.207   1.331  -0.628  0.00  0.00    +0.024 A 
BRANCH  21  31
ATOM     27  C   LIG    1       -7.982  -1.469  -1.440  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1       -6.553  -1.407  -1.736  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1       -5.737  -1.947  -0.630  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1       -5.101  -0.897   0.313  0.00  0.00    +0.120 C 
ATOM     31  N   LIG    1       -4.286   0.073  -0.440  0.00  0.00    -0.327 N 
ATOM     32  C   LIG    1       -4.652   0.272  -1.854  0.00  0.00    +0.120 C 
ATOM     33  C   LIG    1       -6.153  -0.025  -2.077  0.00  0.00    +0.103 C 
ENDBRANCH  21  31
ENDBRANCH   1  24
TORSDOF 4