REMARK  Name = BDB063223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.275  -2.372  -0.794  0.00  0.00    +0.012 C 
ATOM      2  C   LIG    1       -2.914  -1.002  -1.359  0.00  0.00    +0.018 C 
ATOM      3  C   LIG    1       -1.716  -0.407  -0.688  0.00  0.00    -0.024 A 
ATOM      4  C   LIG    1       -0.353  -0.801  -0.877  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.636  -0.176  -0.206  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        0.280   0.941   0.741  0.00  0.00    +0.263 A 
ATOM      7  N   LIG    1       -1.078   1.263   0.867  0.00  0.00    -0.315 N 
ATOM      8  C   LIG    1       -1.473   2.336   1.767  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1        1.175   1.523   1.357  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -2.036   0.586   0.144  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -3.505   0.839   0.179  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -3.993   0.055  -1.048  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        2.045  -0.641  -0.453  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1        3.001   0.037   0.260  0.00  0.00    -0.260 N 
ATOM     15  H   LIG    1        2.712   0.787   0.888  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        2.250  -1.561  -1.241  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.357  -0.161   0.243  0.00  0.00    +0.167 A 
ATOM     18  S   LIG    1        5.117  -1.352  -0.719  0.00  0.00    -0.023 S 
ATOM     19  C   LIG    1        6.617  -0.860  -0.109  0.00  0.00    +0.182 A 
ATOM     20  F   LIG    1        7.797  -1.400  -0.448  0.00  0.00    -0.196 F 
ATOM     21  C   LIG    1        6.467   0.170   0.783  0.00  0.00    +0.159 A 
ATOM     22  N   LIG    1        5.159   0.573   0.986  0.00  0.00    -0.230 NA
ENDBRANCH  14  17
ENDBRANCH   5  13
TORSDOF 2