REMARK  Name = BDB005224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.712   1.619  -1.870  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        1.637   0.766  -1.008  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.107   0.467   0.318  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        1.821   1.105   1.325  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        1.549   1.100   2.512  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        2.990   1.762   0.712  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.055   2.476   1.253  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        5.022   2.954   0.341  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.926   2.717  -1.040  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.853   1.999  -1.555  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.888   1.534  -0.672  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -0.071  -0.364   0.610  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -1.371   0.447   0.613  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -2.566  -0.500   0.637  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -2.660  -1.333  -0.577  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -1.354  -1.631  -1.187  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.181  -1.658  -0.210  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.387  -2.576  -0.269  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -3.921  -3.217  -1.580  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.235  -3.483  -0.815  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1       -4.873  -2.264   0.060  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  22
ATOM     22  C   LIG    1        4.306   2.799   2.688  0.00  0.00    +0.242 C 
ATOM     23  O   LIG    1        5.224   3.550   3.008  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        3.528   2.256   3.660  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        3.688   2.554   4.612  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        2.678   1.725   3.478  0.00  0.00    +0.145 HD
ENDBRANCH   7  22
TORSDOF 3