REMARK  Name = BDB004703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.514  -0.598   0.075  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -1.598  -0.065   0.805  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.849  -0.686   0.625  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -3.947  -0.158   1.338  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -3.798   0.942   2.205  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.560   1.535   2.387  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -2.970  -1.749  -0.201  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -1.871  -2.187  -0.825  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -1.468   1.033   1.693  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.651  -1.664  -0.727  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.335  -0.712   1.236  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -6.267  -0.231   1.873  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.553  -1.774   0.411  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -6.482  -2.164   0.348  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.789  -2.196  -0.109  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.759  -0.003   0.200  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        0.667   0.982  -0.042  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1        2.406  -1.843   0.165  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1        1.861  -0.608  -0.558  0.00  0.00    +0.099 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.956   0.443  -0.721  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        3.561   1.049   0.394  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.556   2.014   0.229  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.958   2.388  -1.051  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.366   1.800  -2.166  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.370   0.834  -2.004  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 4