REMARK  Name = BDB017822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.223   0.626  -1.862  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.032   1.146  -1.110  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.286   2.415  -0.581  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -0.658   3.065   0.193  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.883   2.427   0.425  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.156   1.146  -0.102  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.671   2.868  -0.925  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.175   0.503  -0.875  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.013   1.931  -2.094  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.421   0.465   0.143  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -3.635  -0.869  -0.202  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -4.867  -1.102   0.163  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -5.808  -2.236   0.124  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -7.159  -1.526   0.399  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -6.810  -0.212   1.123  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -5.437  -0.003   0.720  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -4.559   1.015   0.721  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     18  O   LIG    1        3.329  -1.029  -2.745  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        2.978  -1.078  -1.570  0.00  0.00    +0.218 C 
ATOM     20  N   LIG    1        1.949  -0.327  -1.052  0.00  0.00    -0.308 N 
ATOM     21  H   LIG    1        1.787  -0.319  -0.053  0.00  0.00    +0.149 HD
BRANCH  19  22
ATOM     22  C   LIG    1        3.667  -1.970  -0.553  0.00  0.00    +0.131 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.601  -1.201   0.351  0.00  0.00    -0.036 A 
ATOM     24  C   LIG    1        4.350  -1.105   1.726  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1        5.218  -0.385   2.546  0.00  0.00    +0.142 A 
ATOM     26  F   LIG    1        4.945  -0.311   3.857  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        6.341   0.244   2.015  0.00  0.00    +0.076 A 
ATOM     28 CL   LIG    1        7.410   1.136   3.027  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1        6.603   0.153   0.649  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        5.737  -0.568  -0.179  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   1  20
TORSDOF 4