REMARK  Name = BDB031257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.950  -1.339  -0.823  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -3.858  -0.460  -0.524  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.529  -0.856  -0.329  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.776   0.287  -0.057  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -0.419   0.226   0.187  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.199  -1.032   0.123  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -0.583  -2.189  -0.116  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.642   1.388  -0.080  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -2.257   2.749   0.155  0.00  0.00    +0.154 C 
ATOM     10  C   LIG    1       -1.959  -2.110  -0.360  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -3.949   0.941  -0.372  0.00  0.00    +0.330 A 
ATOM     12  O   LIG    1       -4.954   1.626  -0.471  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.569  -1.214   0.449  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        1.629  -1.369   1.459  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.639  -0.326   0.128  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1        3.803  -0.343   0.931  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.818   0.588   0.690  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.761   1.421  -0.428  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.677   1.343  -1.299  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.624   0.469  -1.027  0.00  0.00    +0.025 A 
BRANCH  16  21
ATOM     21  N   LIG    1        3.861  -1.167   2.081  0.00  0.00    -0.357 N 
ATOM     22  H   LIG    1        4.810  -1.264   2.433  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        3.465  -2.083   1.881  0.00  0.00    +0.142 HD
ENDBRANCH  16  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 3