REMARK  Name = BDB053572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.524   0.257  -0.133  0.00  0.00    +0.051 A 
ATOM      2  N   LIG    1       -3.110   1.329  -0.801  0.00  0.00    -0.321 N 
ATOM      3  H   LIG    1       -2.519   2.005  -1.267  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -4.481   1.556  -0.909  0.00  0.00    +0.262 A 
ATOM      5  O   LIG    1       -4.938   2.529  -1.500  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -5.282   0.552  -0.250  0.00  0.00    +0.105 A 
ATOM      7  C   LIG    1       -6.655   0.321  -0.078  0.00  0.00    +0.151 A 
ATOM      8  N   LIG    1       -6.885  -0.769   0.659  0.00  0.00    -0.155 NA
ATOM      9  N   LIG    1       -5.653  -1.256   0.934  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -5.524  -2.462   1.714  0.00  0.00    +0.173 C 
ATOM     11  C   LIG    1       -4.663  -0.486   0.406  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1       -3.269  -0.681   0.495  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        1.800   0.082  -0.096  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.094   1.155   0.470  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -0.307   1.215   0.461  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.056   0.190  -0.118  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1       -0.378  -0.889  -0.688  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.024  -0.937  -0.672  0.00  0.00    +0.024 A 
BRANCH  13  23
ATOM     19  C   LIG    1        7.200   0.308   0.759  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1        6.181  -0.066  -0.217  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        5.329  -1.153   0.312  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        3.921  -1.220  -0.325  0.00  0.00    +0.120 C 
ATOM     23  N   LIG    1        3.183   0.030  -0.079  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1        3.998   1.251   0.058  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.370   1.095  -0.640  0.00  0.00    +0.103 C 
ENDBRANCH  13  23
ENDBRANCH   1  16
BRANCH   7  26
ATOM     26  N   LIG    1       -7.629   1.091  -0.576  0.00  0.00    -0.341 N 
ATOM     27  H   LIG    1       -7.416   2.027  -0.910  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1       -8.557   0.982  -0.185  0.00  0.00    +0.144 HD
ENDBRANCH   7  26
TORSDOF 3