REMARK  Name = BDB031212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.104  -1.988   0.243  0.00  0.00    +0.115 A 
ATOM      2  N   LIG    1       -0.569  -0.673   0.298  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.557   0.148   0.314  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.635  -0.732   0.294  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.951  -0.243   0.319  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        3.157   1.141   0.371  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.063   2.013   0.439  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        0.746   1.536   0.419  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        1.215  -2.029   0.264  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -1.925  -0.236   0.325  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.310   0.873  -0.447  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.633   1.243  -0.380  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.558   0.568   0.412  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.792   1.188   0.254  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.664   0.940   0.691  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.648   2.256  -0.644  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -6.522   3.016  -1.017  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -4.212  -0.515   1.182  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.299   2.276  -1.030  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -3.915   2.947  -1.675  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -2.871  -0.920   1.134  0.00  0.00    +0.028 A 
ENDBRANCH   2  10
BRANCH   6  22
ATOM     22  C   LIG    1        4.527   1.726   0.400  0.00  0.00    +0.244 C 
ATOM     23  N   LIG    1        5.532   0.973  -0.173  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.282   0.194  -0.766  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        6.867   1.503  -0.293  0.00  0.00    +0.128 C 
ATOM     26  O   LIG    1        4.710   2.837   0.885  0.00  0.00    -0.270 OA
ENDBRANCH   6  22
BRANCH   1  28
ATOM     27  C   LIG    1       -0.254  -4.338  -0.632  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -0.975  -3.197   0.074  0.00  0.00    +0.071 C 
ENDBRANCH   1  28
TORSDOF 3