REMARK  Name = BDB051186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.932   0.261   0.296  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -3.501   0.147   0.154  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -2.675   0.930  -0.583  0.00  0.00    +0.187 C 
ATOM      4  N   LIG    1       -1.412   0.639  -0.501  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -1.360  -0.426   0.369  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1       -0.290  -1.117   0.784  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.739  -0.769   0.819  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1       -3.075  -1.650   1.588  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.111  -0.883   0.401  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        1.629   0.402   0.181  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        2.967   0.524  -0.137  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        3.623   1.690  -0.383  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        4.954   1.202  -0.649  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        5.071  -0.232  -0.551  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        3.793  -0.570  -0.231  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        3.330  -1.847  -0.009  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        1.976  -1.999   0.316  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -3.142   1.939  -1.359  0.00  0.00    -0.331 N 
ATOM     19  H   LIG    1       -4.038   1.787  -1.800  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -2.437   2.275  -2.008  0.00  0.00    +0.145 HD
ENDBRANCH   3  18
TORSDOF 2