REMARK  Name = BDB022002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708   0.822  -3.190  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.166   1.979  -2.707  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.108   1.573  -1.576  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.567   0.181  -1.677  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        2.506  -0.348  -0.780  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.116  -1.397  -0.974  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.533  -0.413  -3.013  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        0.137  -0.377  -3.640  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.811   0.392   0.465  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        4.110   0.884   0.644  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        4.436   1.572   1.814  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        3.468   1.744   2.806  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        3.873   2.580   4.250  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        2.178   1.231   2.640  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        1.846   0.551   1.466  0.00  0.00    +0.014 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1       -1.340  -0.355  -1.125  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -0.378  -0.675  -1.179  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -1.775   0.469  -2.145  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1       -2.896   0.963  -2.244  0.00  0.00    -0.275 OA
BRANCH  16  25
ATOM     20  C   LIG    1       -4.109  -2.271   3.534  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1       -3.391  -1.791   2.303  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1       -2.077  -2.179   2.007  0.00  0.00    +0.046 A 
ATOM     23 CL   LIG    1       -1.195  -3.248   3.045  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -1.429  -1.701   0.860  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1       -2.074  -0.813  -0.009  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -3.380  -0.425   0.281  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.032  -0.907   1.425  0.00  0.00    +0.006 A 
ENDBRANCH  16  25
ENDBRANCH   1  18
TORSDOF 3