REMARK  Name = BDB051314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.641  -1.997   0.098  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -2.560  -0.962   0.518  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -3.580  -1.606   1.228  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -4.650  -0.936   1.829  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -4.688   0.450   1.720  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.699   1.138   1.014  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.801   2.628   0.955  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -4.630   3.251   1.608  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -2.919   3.283   0.131  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -3.107   4.272   0.024  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -2.187   2.577  -0.889  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -1.588   1.288  -0.345  0.00  0.00    +0.055 C 
ATOM     13  N   LIG    1       -3.317  -2.955   1.210  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -3.901  -3.656   1.644  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -2.624   0.457   0.381  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -2.154  -3.201   0.543  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.357  -1.864  -0.664  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.800  -1.388   0.218  0.00  0.00    +0.109 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.297  -0.193  -1.346  0.00  0.00    +0.227 C 
ATOM     20  N   LIG    1        2.050  -1.268  -0.511  0.00  0.00    -0.314 N 
ATOM     21  H   LIG    1        2.827  -1.849  -0.227  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.456   0.669  -1.590  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.710  -0.178  -1.944  0.00  0.00    +0.180 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.819   0.981  -2.026  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1        4.573   0.819  -1.278  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        4.860   0.467   0.112  0.00  0.00    +0.105 C 
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5