REMARK  Name = BDB003394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.884   1.017  -0.879  0.00  0.00    -0.233 N 
ATOM      2  C   LIG    1       -1.682  -0.128  -0.885  0.00  0.00    +0.253 C 
ATOM      3  O   LIG    1       -1.513  -1.072  -1.655  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.801  -0.193   0.082  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.034   0.859   0.965  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -4.101   0.767   1.873  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.923  -0.360   1.891  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.688  -1.407   1.005  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.165   2.076   0.971  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -3.628  -1.325   0.102  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -1.080   2.133  -0.076  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -0.406   3.162  -0.181  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.230   1.054  -1.820  0.00  0.00    +0.151 C 
BRANCH  13  17
ATOM     14  C   LIG    1        3.849  -0.510  -0.021  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        2.966  -1.364  -0.681  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.800  -0.856  -1.266  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        1.504   0.512  -1.206  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1        2.392   1.363  -0.536  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.554   0.853   0.048  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.365  -2.252   0.537  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.016  -0.875   0.591  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH  13  17
ENDBRANCH   1  13
TORSDOF 3