REMARK  Name = BDB020199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.771  -1.221  -1.273  0.00  0.00    +0.138 C 
ATOM      2  N   LIG    1        0.871  -0.210  -0.216  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1       -0.235   0.177   0.562  0.00  0.00    +0.232 C 
ATOM      4  O   LIG    1       -0.158   0.934   1.535  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.604  -0.411   0.212  0.00  0.00    +0.162 C 
ATOM      6  C   LIG    1       -2.287   0.372  -0.893  0.00  0.00    +0.231 C 
ATOM      7  O   LIG    1       -1.678   0.951  -1.790  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -3.662   0.338  -0.913  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -4.106   0.830  -1.677  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -4.509  -0.295  -0.038  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.722  -0.304  -0.223  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -3.858  -1.032   1.105  0.00  0.00    +0.097 C 
ATOM     13  C   LIG    1       -2.514  -0.413   1.451  0.00  0.00    +0.031 C 
ENDBRANCH   3   5
BRANCH   2  14
ATOM     14  C   LIG    1        2.198   0.296   0.068  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1        3.357  -0.458  -0.194  0.00  0.00    +0.145 A 
ATOM     16  F   LIG    1        3.274  -1.716  -0.659  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        4.638   0.037   0.059  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        4.797   1.315   0.582  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        3.672   2.089   0.846  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.389   1.585   0.591  0.00  0.00    +0.026 A 
ENDBRANCH   2  14
TORSDOF 2