REMARK  Name = BDB048507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.956   0.405  -0.017  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.788   0.938   0.556  0.00  0.00    +0.133 A 
ATOM      3  C   LIG    1       -0.563   2.319   0.525  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.446   3.164  -0.146  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.573   2.638  -0.770  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.830   1.267  -0.700  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.107  -3.179   1.237  0.00  0.00    +0.128 C 
ATOM      8  N   LIG    1       -1.741  -1.806   1.016  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1       -1.129  -1.343   1.682  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -2.341  -1.039   0.044  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -3.177  -1.486  -0.735  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   2  12
ATOM     12  O   LIG    1        0.094   0.150   1.245  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1        1.296  -0.235   0.547  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1        1.101  -0.866  -0.839  0.00  0.00    +0.072 C 
ATOM     15  C   LIG    1        2.398  -0.858  -1.641  0.00  0.00    +0.163 C 
ATOM     16  O   LIG    1        3.523  -0.903  -0.769  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        3.681   0.297  -0.010  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        2.357   0.862   0.499  0.00  0.00    +0.072 C 
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 3