REMARK  Name = BDB040490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.697  -2.478   1.876  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        2.820  -0.083   0.999  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        2.447  -1.153   0.167  0.00  0.00    +0.045 A 
ATOM      4 CL   LIG    1        3.320  -1.571  -1.266  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        1.329  -1.938   0.471  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.558  -1.683   1.613  0.00  0.00    -0.029 A 
ATOM      7  C   LIG    1        0.926  -0.626   2.449  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.042   0.159   2.148  0.00  0.00    +0.006 A 
BRANCH   2  15
ATOM      9  O   LIG    1        7.467   2.050  -1.185  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        6.463   1.619  -0.625  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        5.230   1.704  -1.218  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        5.210   2.153  -2.123  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        4.003   1.480  -0.639  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        2.978   1.870  -1.196  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.013   0.828   0.742  0.00  0.00    +0.107 C 
ATOM     16  C   LIG    1        5.340   0.113   1.023  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        6.500   1.062   0.777  0.00  0.00    +0.097 C 
ENDBRANCH   2  15
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  N   LIG    1       -1.838  -1.802   1.300  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.059  -0.899   1.697  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -2.163  -1.992  -0.034  0.00  0.00    +0.224 C 
ATOM     21  O   LIG    1       -1.693  -2.913  -0.698  0.00  0.00    -0.275 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.158  -0.942  -0.613  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1       -4.511  -1.161   0.117  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1       -5.694  -0.499  -0.586  0.00  0.00    +0.161 C 
ATOM     25  O   LIG    1       -5.765  -0.883  -1.953  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1       -4.593  -0.510  -2.674  0.00  0.00    +0.161 C 
ATOM     27  C   LIG    1       -3.389  -1.253  -2.119  0.00  0.00    +0.049 C 
BRANCH  22  28
ATOM     28  C   LIG    1       -2.525   0.463  -0.443  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1       -1.274   0.730  -1.044  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -0.631   1.959  -0.875  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -1.229   2.940  -0.102  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1       -0.617   4.119   0.070  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -2.454   2.711   0.507  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -3.095   1.478   0.345  0.00  0.00    +0.007 A 
ENDBRANCH  22  28
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 5