REMARK  Name = BDB050433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.508   1.766  -1.624  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.027   0.848  -0.549  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1        1.268  -0.239  -0.072  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        1.849  -1.035   0.931  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.132  -2.224   1.508  0.00  0.00    +0.066 C 
ATOM      6  N   LIG    1        3.080  -0.793   1.454  0.00  0.00    -0.237 NA
ATOM      7  C   LIG    1        3.785   0.243   0.987  0.00  0.00    +0.117 A 
ATOM      8  C   LIG    1        3.299   1.079  -0.009  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -0.074  -0.519  -0.591  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.217   0.029   0.023  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.513  -0.206  -0.438  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.414   0.503   0.420  0.00  0.00    -0.025 A 
ATOM     13  C   LIG    1       -2.643   1.141   1.371  0.00  0.00    +0.087 A 
ATOM     14  C   LIG    1       -4.895   0.542   0.309  0.00  0.00    +0.046 C 
ATOM     15  C   LIG    1       -2.688  -1.029  -1.569  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -1.570  -1.587  -2.197  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -1.329   0.850   1.124  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1       -0.543   1.180   1.669  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1       -0.288  -1.335  -1.716  0.00  0.00    +0.010 A 
ENDBRANCH   3   9
BRANCH   7  20
ATOM     20  N   LIG    1        5.054   0.464   1.530  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        5.099   1.397   1.927  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        5.753   0.395   0.797  0.00  0.00    +0.144 HD
ENDBRANCH   7  20
TORSDOF 2