REMARK  Name = BDB061121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.431   0.620  -1.016  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.060   1.311  -0.004  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -0.502   1.669   0.764  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.039   0.084  -1.937  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.870   0.320  -0.984  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        3.209   0.922   0.091  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        1.817   1.024   0.091  0.00  0.00    +0.136 A 
ATOM      8  F   LIG    1        1.234   1.603   1.153  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        1.056   0.538  -0.973  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1        1.721  -0.062  -2.052  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        3.117  -0.165  -2.059  0.00  0.00    +0.011 A 
BRANCH   5  14
ATOM     12  C   LIG    1        5.639  -1.244   1.040  0.00  0.00    +0.173 C 
ATOM     13  N   LIG    1        6.092  -0.461  -0.086  0.00  0.00    -0.267 N 
ATOM     14  C   LIG    1        5.324   0.219  -1.006  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1        6.230   0.728  -1.918  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        7.495   0.344  -1.443  0.00  0.00    +0.135 A 
ATOM     17  N   LIG    1        7.417  -0.372  -0.322  0.00  0.00    -0.179 NA
ENDBRANCH   5  14
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1       -2.518   1.331   0.140  0.00  0.00    +0.094 C 
ATOM     19  C   LIG    1       -2.984   0.276   1.183  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1       -4.347   0.639   1.813  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -5.152   1.605   0.950  0.00  0.00    +0.081 C 
ATOM     22  N   LIG    1       -4.455   2.862   0.691  0.00  0.00    -0.314 NA
ATOM     23  H   LIG    1       -4.681   3.553   1.406  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -2.999   2.730   0.578  0.00  0.00    +0.103 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -2.979  -1.150   0.643  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -3.754  -1.523  -0.468  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1       -3.725  -2.835  -0.935  0.00  0.00    +0.159 A 
ATOM     28  F   LIG    1       -4.478  -3.173  -1.991  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -2.935  -3.788  -0.308  0.00  0.00    +0.158 A 
ATOM     30  F   LIG    1       -2.913  -5.051  -0.755  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -2.162  -3.443   0.794  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -2.185  -2.129   1.269  0.00  0.00    +0.007 A 
ENDBRANCH  19  25
ENDBRANCH   2  18
TORSDOF 4