REMARK  Name = BDB052244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.235  -0.071  -0.222  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        2.892  -0.292  -1.410  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        2.451  -0.463  -2.300  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.245  -0.251  -1.188  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.367  -0.025   0.180  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        5.657   0.067   0.733  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        6.775  -0.070  -0.113  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.611  -0.297  -1.481  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.337  -0.394  -2.050  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.118   0.099   0.746  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -2.034   0.015   0.335  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -1.153   0.036   1.425  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        0.231   0.010   1.225  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.776  -0.044  -0.066  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -0.104  -0.066  -1.155  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.490  -0.041  -0.956  0.00  0.00    +0.006 A 
BRANCH  11  19
ATOM     17  C   LIG    1       -4.228   2.275  -0.032  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1       -4.251   0.864  -0.417  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -3.541   0.022   0.577  0.00  0.00    +0.087 C 
ATOM     20  C   LIG    1       -4.077  -1.430   0.645  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -4.571  -1.931  -0.707  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -5.606  -0.981  -1.311  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -5.618   0.403  -0.655  0.00  0.00    +0.084 C 
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  C   LIG    1        5.841   0.286   2.179  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        5.218  -0.325   3.035  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        6.780   1.223   2.526  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        7.090   1.917   1.860  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        6.794   1.475   3.506  0.00  0.00    +0.145 HD
ENDBRANCH   6  24
TORSDOF 3