REMARK  Name = BDB049847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547  -0.198   0.087  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -0.421  -1.145   0.462  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1       -1.742  -0.759   0.411  0.00  0.00    +0.158 A 
ATOM      4  C   LIG    1       -2.108   0.507   0.007  0.00  0.00    +0.087 A 
ATOM      5  N   LIG    1       -3.470   0.550   0.074  0.00  0.00    -0.288 N 
ATOM      6  H   LIG    1       -4.084   1.316  -0.147  0.00  0.00    +0.172 HD
ATOM      7  C   LIG    1       -3.908  -0.678   0.512  0.00  0.00    +0.419 A 
ATOM      8  O   LIG    1       -5.080  -0.980   0.682  0.00  0.00    -0.223 OA
ATOM      9  C   LIG    1       -1.199   1.466  -0.368  0.00  0.00    +0.030 A 
ATOM     10  O   LIG    1       -2.833  -1.548   0.740  0.00  0.00    -0.408 OA
ATOM     11  C   LIG    1        0.152   1.101  -0.326  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        1.976  -0.610   0.141  0.00  0.00    +0.339 C 
ATOM     13  O   LIG    1        2.343  -1.720   0.492  0.00  0.00    -0.245 OA
BRANCH  12  15
ATOM     14  C   LIG    1        4.176   0.084  -0.222  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        2.784   0.407  -0.248  0.00  0.00    -0.464 OA
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 2