REMARK  Name = BDB029433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.926  -0.465   0.195  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.709  -1.131   0.868  0.00  0.00    +0.126 C 
ATOM      3  N   LIG    1       -1.435  -0.548   0.426  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.286  -1.323   0.582  0.00  0.00    +0.247 C 
ATOM      5  O   LIG    1       -0.274  -2.412   1.149  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -1.415   0.889   0.140  0.00  0.00    +0.108 C 
ATOM      7  C   LIG    1       -2.563   1.626   0.820  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -3.934   1.052   0.458  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        0.998  -0.817   0.045  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        2.110  -0.795   0.894  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        3.292  -0.340   0.357  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1        4.518  -0.216   0.991  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1        4.713  -0.454   1.952  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        5.488   0.274   0.125  0.00  0.00    +0.222 C 
ATOM     15  C   LIG    1        4.821   0.499  -1.238  0.00  0.00    +0.133 C 
ATOM     16  O   LIG    1        6.655   0.487   0.407  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        3.407   0.071  -0.972  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1        2.320   0.030  -1.825  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        1.103  -0.427  -1.309  0.00  0.00    +0.013 A 
ENDBRANCH   4   9
BRANCH   1  20
ATOM     20  N   LIG    1       -3.932  -0.747  -1.250  0.00  0.00    -0.326 NA
ATOM     21  H   LIG    1       -4.601  -0.150  -1.730  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -3.011  -0.555  -1.641  0.00  0.00    +0.119 HD
ENDBRANCH   1  20
TORSDOF 2