REMARK  Name = BDB040467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.565   1.185  -0.534  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        1.402   1.349   0.575  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        2.627   0.666   0.672  0.00  0.00    +0.048 A 
ATOM      4 CL   LIG    1        3.559   1.011   2.084  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.042  -0.217  -0.336  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        2.186  -0.357  -1.444  0.00  0.00    +0.129 A 
ATOM      7  F   LIG    1        2.540  -1.166  -2.454  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        0.972   0.318  -1.548  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.330  -1.028  -0.367  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        4.789  -1.596   0.966  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.104  -2.378   1.623  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.013  -1.179   1.433  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.287  -1.559   2.328  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.738  -0.091   1.016  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.691   0.321   1.671  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.256   0.609  -0.230  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.471  -0.336  -1.122  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.765   1.885  -0.617  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.615   0.305  -1.060  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.822   1.007  -0.175  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.936   0.858   0.819  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.512   0.436  -2.278  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.770  -1.801   0.244  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.616  -0.678  -0.397  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -4.496  -1.328  -1.487  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.535   0.059   0.592  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.762  -0.387   1.900  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -5.605   0.344   2.728  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1       -6.234   1.475   2.353  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1       -6.025   1.889   1.088  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -5.202   1.227   0.188  0.00  0.00    +0.024 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5