REMARK  Name = BDB020201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.399  -0.413   0.289  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1        1.541  -0.367  -0.487  0.00  0.00    -0.283 N 
ATOM      3  H   LIG    1        1.428  -0.394  -1.496  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.352  -0.385   1.514  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.878  -0.239  -0.052  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        3.870  -0.202  -1.042  0.00  0.00    +0.144 A 
ATOM      7  F   LIG    1        3.515  -0.292  -2.334  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        5.219  -0.079  -0.722  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        5.599   0.012   0.614  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.626  -0.022   1.613  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.270  -0.147   1.284  0.00  0.00    +0.026 A 
ENDBRANCH   2   5
BRANCH   1  12
ATOM     12  C   LIG    1       -0.857  -0.587  -0.555  0.00  0.00    +0.109 C 
BRANCH  12  19
ATOM     13  O   LIG    1       -5.758   1.691   0.568  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -4.687   1.091   0.557  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -3.499   1.756   0.719  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -3.594   2.764   0.734  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -2.284   1.309   0.263  0.00  0.00    +0.223 C 
ATOM     18  O   LIG    1       -1.417   2.099  -0.098  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -2.122  -0.203   0.220  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.373  -0.795  -0.429  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -4.600  -0.407   0.384  0.00  0.00    +0.097 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 3