REMARK  Name = BDB032915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.826  -1.857  -0.642  0.00  0.00    -0.261 N 
ATOM      2  H   LIG    1        1.220  -2.709  -1.021  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1       -0.426  -2.007  -0.106  0.00  0.00    +0.252 C 
ATOM      4  O   LIG    1       -0.870  -3.137   0.101  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.315  -0.873   0.181  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1       -1.657   0.034  -0.821  0.00  0.00    +0.135 A 
ATOM      7  F   LIG    1       -1.146  -0.080  -2.055  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.537   1.080  -0.555  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -3.094   1.208   0.719  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.778   0.284   1.718  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.896  -0.765   1.449  0.00  0.00    +0.016 A 
ENDBRANCH   3   5
BRANCH   1  14
ATOM     12  C   LIG    1        2.965   1.206  -0.284  0.00  0.00    +0.166 A 
ATOM     13  S   LIG    1        1.481   0.604   0.286  0.00  0.00    -0.030 S 
ATOM     14  C   LIG    1        1.702  -0.805  -0.651  0.00  0.00    +0.167 A 
ATOM     15  N   LIG    1        2.835  -0.879  -1.312  0.00  0.00    -0.231 NA
ATOM     16  C   LIG    1        3.556   0.289  -1.122  0.00  0.00    +0.152 A 
BRANCH  12  18
ATOM     17  O   LIG    1        4.592   2.802  -0.400  0.00  0.00    -0.143 OA
ATOM     18  N   LIG    1        3.499   2.518   0.103  0.00  0.00    -0.022 NA
ENDBRANCH  12  18
ENDBRANCH   1  14
TORSDOF 3