REMARK  Name = BDB023050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.183   1.478  -1.197  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.162   1.999  -0.675  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        2.090   1.698  -1.839  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.530   0.399  -2.407  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.117   0.356  -2.076  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -4.794  -1.211   1.842  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1       -3.947  -0.998   0.876  0.00  0.00    +0.184 A 
ATOM      8  C   LIG    1       -2.841  -0.040   0.851  0.00  0.00    +0.098 A 
ATOM      9  C   LIG    1       -2.227   0.848   1.752  0.00  0.00    +0.154 A 
ATOM     10  C   LIG    1       -1.204   1.517   1.118  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -1.123   1.034  -0.170  0.00  0.00    -0.302 N 
ATOM     12  F   LIG    1       -2.543   1.035   3.037  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1       -2.124   0.113  -0.318  0.00  0.00    +0.128 A 
ATOM     14  N   LIG    1       -2.405  -0.602  -1.421  0.00  0.00    -0.332 N 
ATOM     15  H   LIG    1       -1.857  -0.531  -2.274  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1       -3.399  -1.540  -1.309  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1       -4.128  -1.775  -0.266  0.00  0.00    -0.216 NA
BRANCH   6  18
ATOM     18  N   LIG    1       -4.744  -0.479   2.977  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -5.375  -0.878   3.674  0.00  0.00    +0.164 HD
ATOM     20  H   LIG    1       -3.813  -0.458   3.397  0.00  0.00    +0.164 HD
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  21
ATOM     21  O   LIG    1        1.156   3.396  -0.381  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1        1.293   3.850  -1.240  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   3  23
ATOM     23  O   LIG    1        1.929   2.769  -2.791  0.00  0.00    -0.386 OA
ATOM     24  H   LIG    1        2.564   2.621  -3.518  0.00  0.00    +0.210 HD
ENDBRANCH   3  23
BRANCH   4  25
ATOM     25  C   LIG    1        2.239  -0.894  -1.933  0.00  0.00    +0.176 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.277  -1.131  -0.438  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1        1.165  -1.631   0.260  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        1.205  -1.802   1.646  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        2.363  -1.485   2.349  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        2.414  -1.691   4.055  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        3.482  -1.003   1.676  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        3.441  -0.829   0.289  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
BRANCH  25  33
ATOM     33  O   LIG    1        1.632  -2.022  -2.571  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1        0.670  -1.875  -2.540  0.00  0.00    +0.210 HD
ENDBRANCH  25  33
ENDBRANCH   4  25
TORSDOF 7