REMARK  Name = BDB007300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.047   0.169   2.223  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1       -1.669  -0.422   0.931  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1       -1.395   0.548  -0.106  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1       -2.213   0.320  -1.221  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1       -2.126   0.857  -2.313  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1       -3.144  -0.756  -0.885  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -4.188  -1.361  -1.575  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.833  -2.434  -0.925  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.437  -2.872   0.348  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.389  -2.241   1.012  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -2.750  -1.174   0.393  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.002   0.943  -0.342  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1        0.868  -0.247  -0.790  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        2.347   0.072  -0.598  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1        2.704   0.274   0.819  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        1.599   0.839   1.615  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        0.647   1.721   0.812  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.903   1.122   0.913  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        5.141   0.367   0.353  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1        5.918   0.911   1.570  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        4.564   0.953   2.309  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  22
ATOM     22  C   LIG    1       -4.718  -1.000  -2.920  0.00  0.00    +0.242 C 
ATOM     23  O   LIG    1       -5.603  -1.671  -3.444  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -4.234   0.087  -3.578  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.393   0.588  -3.296  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -4.558   0.239  -4.523  0.00  0.00    +0.145 HD
ENDBRANCH   7  22
TORSDOF 3