REMARK  Name = BDB053435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.470  -3.844  -0.481  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        0.534  -2.410  -0.313  0.00  0.00    -0.241 N 
ATOM      3  C   LIG    1       -0.503  -1.527  -0.185  0.00  0.00    +0.194 C 
ATOM      4  N   LIG    1       -0.113  -0.293  -0.051  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        1.263  -0.319  -0.089  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        2.014   0.786   0.002  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.717  -1.726  -0.265  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        2.849  -2.162  -0.344  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.476   0.868  -0.034  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.090   1.605  -1.056  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.466   1.696  -1.051  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.221   2.363  -1.965  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.548   2.102  -1.462  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        7.561   1.310  -0.257  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        6.230   1.096  -0.077  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.660   0.374   0.947  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.266   0.265   0.969  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -1.792  -1.992  -0.207  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.913  -2.986  -0.326  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.008  -1.288  -0.109  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -3.108   0.101   0.032  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -4.354   0.728   0.133  0.00  0.00    +0.164 A 
ATOM     23  O   LIG    1       -4.346   2.092   0.289  0.00  0.00    -0.485 OA
ATOM     24  C   LIG    1       -5.621   2.575   0.725  0.00  0.00    +0.270 C 
ATOM     25  C   LIG    1       -6.739   1.944  -0.088  0.00  0.00    +0.270 C 
ATOM     26  O   LIG    1       -6.782   0.527   0.125  0.00  0.00    -0.485 OA
ATOM     27  C   LIG    1       -5.528  -0.023   0.067  0.00  0.00    +0.162 A 
ATOM     28  C   LIG    1       -5.455  -1.404  -0.057  0.00  0.00    +0.051 A 
ATOM     29  C   LIG    1       -4.206  -2.028  -0.144  0.00  0.00    +0.027 A 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 3