REMARK  Name = BDB009003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.869  -1.383   0.301  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.731  -1.277  -0.505  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.299  -2.233  -0.433  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.152  -3.324   0.435  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.980  -3.440   1.238  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.983  -2.472   1.173  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.030   0.703  -0.443  0.00  0.00    +0.223 C 
ATOM      8  N   LIG    1        2.930  -0.457   0.292  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        3.708  -0.658   0.904  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.213   1.184  -1.213  0.00  0.00    -0.275 OA
BRANCH   7  12
ATOM     11  C   LIG    1        4.293   2.466   0.915  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1        4.321   1.440  -0.192  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        5.170   1.776  -1.410  0.00  0.00    +0.017 C 
ATOM     14  C   LIG    1        5.636   0.718  -0.457  0.00  0.00    +0.017 C 
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1       -1.525  -2.143  -1.316  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.095  -0.737  -1.475  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -2.914  -0.141  -0.372  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -3.173  -0.901   0.897  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -3.768  -0.039   2.015  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.847   0.894   1.481  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.284   1.815   0.397  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.404   1.093  -0.585  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -3.097   1.810  -1.849  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -3.508   2.946  -2.062  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -2.340   1.122  -2.757  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -2.101   1.599  -3.620  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -1.841  -0.131  -2.597  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 4