REMARK  Name = BDB048006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.772  -0.708  -0.577  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -0.074  -1.321   0.317  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.059  -1.200   1.314  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.670  -0.795  -1.794  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.175   0.794   0.222  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        3.200  -0.043  -0.360  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.585  -1.044  -1.420  0.00  0.00    +0.048 C 
ATOM      8  C   LIG    1        1.855   0.103   0.041  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        1.496   1.044   1.016  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.471   1.847   1.599  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.803   1.724   1.203  0.00  0.00    +0.046 A 
BRANCH   5  13
ATOM     12  C   LIG    1        6.461   1.493   0.285  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        5.459   0.627  -0.230  0.00  0.00    -0.495 OA
ENDBRANCH   5  13
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  C   LIG    1       -1.247  -2.055  -0.099  0.00  0.00    +0.145 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.448  -1.161   0.002  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -2.929  -0.920   1.403  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1       -2.341  -1.374   2.382  0.00  0.00    -0.268 OA
ATOM     18  N   LIG    1       -4.056  -0.151   1.545  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -4.363  -0.004   2.498  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1       -4.741   0.422   0.503  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -5.943   1.245   0.846  0.00  0.00    +0.063 C 
ATOM     22  C   LIG    1       -4.305   0.223  -0.749  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -3.130  -0.594  -1.019  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -2.779  -0.715  -2.477  0.00  0.00    +0.044 C 
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 4