REMARK  Name = BDB008483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.443  -2.815   0.080  0.00  0.00    +0.135 C 
ATOM      2  N   LIG    1        1.361  -1.862  -0.040  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.530  -0.488  -0.429  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1        0.116   0.036  -0.245  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -0.723  -0.894   0.253  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        0.098  -2.117   0.455  0.00  0.00    +0.250 C 
ATOM      7  O   LIG    1       -0.280  -3.159   0.962  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.107  -0.826   0.573  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.189  -0.378  -0.245  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.356  -0.485   0.522  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -5.617  -0.114   0.023  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -5.685   0.371  -1.285  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -4.548   0.477  -2.077  0.00  0.00    +0.021 A 
ATOM     14 CL   LIG    1       -7.213   0.839  -1.930  0.00  0.00    -0.083 Cl
ATOM     15  N   LIG    1       -3.988  -1.002   1.746  0.00  0.00    -0.349 N 
ATOM     16  C   LIG    1       -4.898  -1.300   2.830  0.00  0.00    +0.149 C 
ATOM     17  C   LIG    1       -3.298   0.101  -1.570  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -2.636  -1.210   1.787  0.00  0.00    +0.095 A 
ENDBRANCH   5   8
BRANCH   4  19
ATOM     19  C   LIG    1       -0.231   1.441  -0.538  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1       -0.872   2.231   0.430  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -1.198   3.565   0.168  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.878   4.125  -1.065  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.278   5.765  -1.391  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.233   3.363  -2.034  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.091   2.028  -1.770  0.00  0.00    +0.010 A 
ENDBRANCH   4  19
BRANCH   3  26
ATOM     26  O   LIG    1        1.843  -0.505  -1.807  0.00  0.00    -0.367 OA
ATOM     27  H   LIG    1        1.536  -1.378  -2.104  0.00  0.00    +0.212 HD
ENDBRANCH   3  26
BRANCH   3  28
ATOM     28  C   LIG    1        2.538   0.350   0.407  0.00  0.00    +0.095 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.002  -0.047   0.360  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1        4.665  -0.445   1.532  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        6.016  -0.796   1.500  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.718  -0.740   0.298  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        8.382  -1.174   0.259  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        6.081  -0.329  -0.869  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        4.729   0.022  -0.837  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 5