REMARK  Name = BDB022010
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.575  -0.267   3.218  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.484   0.831   3.103  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -1.252   0.765   1.786  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -1.407  -0.605   1.287  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.995  -0.892   0.050  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -2.204  -2.031  -0.355  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.355  -1.671   2.284  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.041  -1.667   3.068  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.392   0.238  -0.820  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -3.736   0.644  -0.885  0.00  0.00    -0.038 A 
ATOM     11  C   LIG    1       -4.807  -0.052  -0.094  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.071   1.711  -1.731  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.089   2.352  -2.491  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.762   1.933  -2.424  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.411   0.871  -1.593  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1        1.565  -0.469   0.975  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        0.685  -0.940   0.785  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        1.747  -0.001   2.261  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        2.722   0.630   2.663  0.00  0.00    -0.275 OA
BRANCH  16  25
ATOM     20  C   LIG    1        5.010  -0.378  -3.612  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1        4.139  -0.378  -2.387  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1        4.522   0.267  -1.202  0.00  0.00    +0.046 A 
ATOM     23 CL   LIG    1        6.029   1.109  -1.087  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.693   0.251  -0.072  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1        2.465  -0.407  -0.108  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        2.081  -1.056  -1.288  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        2.907  -1.042  -2.415  0.00  0.00    +0.006 A 
ENDBRANCH  16  25
ENDBRANCH   1  18
TORSDOF 3