REMARK  Name = BDB062231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.274  -1.206   0.621  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.884  -1.364   0.819  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        3.397  -2.446   1.633  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.034  -2.358   1.651  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        1.718  -1.263   0.877  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        4.142  -3.417   2.291  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        5.523  -3.234   2.075  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.830  -0.654   0.369  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.068  -2.180   1.279  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.421  -0.750   0.586  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        0.292   0.384  -0.229  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -0.972   0.904  -0.528  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -2.134   0.304  -0.021  0.00  0.00    -0.009 A 
ATOM     14  C   LIG    1       -1.995  -0.829   0.794  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -0.733  -1.355   1.097  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.524   0.848  -0.329  0.00  0.00    +0.149 C 
ATOM     17  C   LIG    1       -3.829   0.824  -1.850  0.00  0.00    +0.126 C 
ATOM     18  N   LIG    1       -5.157   1.377  -2.190  0.00  0.00    -0.313 NA
ATOM     19  H   LIG    1       -5.859   0.800  -1.719  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -5.283   2.752  -1.698  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -5.068   2.842  -0.187  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -3.709   2.272   0.222  0.00  0.00    +0.048 C 
ATOM     23  F   LIG    1       -4.500   0.079   0.270  0.00  0.00    -0.236 F 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  27
ATOM     24  N   LIG    1        5.048   0.754  -0.786  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        4.039   0.682  -0.677  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        5.440   1.494  -1.350  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        5.887  -0.140  -0.188  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        7.102  -0.059  -0.319  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3