REMARK  Name = BDB046119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.560  -0.503   0.307  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.081  -1.569  -0.370  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -1.451  -1.810  -0.166  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -2.191  -0.998   0.691  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -1.563   0.037   1.378  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.200   0.284   1.181  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.438   1.509   1.522  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.745   0.702   0.653  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        1.939  -0.260   0.082  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.381  -0.886  -0.596  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.158   0.687   0.198  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        4.541   0.701  -1.150  0.00  0.00    +0.054 A 
ATOM     13 CL   LIG    1        3.405   0.794  -2.448  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        5.899   0.679  -1.490  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        6.867   0.657  -0.487  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        8.534   0.632  -0.911  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        6.496   0.664   0.856  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        5.143   0.684   1.199  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1        0.688  -2.448  -1.293  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        1.885  -2.368  -1.512  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -0.067  -3.380  -1.898  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        0.553  -3.870  -2.478  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   2  19
BRANCH   4  23
ATOM     23  O   LIG    1       -3.523  -1.316   0.839  0.00  0.00    -0.436 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.394  -0.251   0.889  0.00  0.00    +0.251 A 
ATOM     25  C   LIG    1       -4.883   0.362  -0.253  0.00  0.00    +0.188 A 
ATOM     26  C   LIG    1       -5.756   1.448  -0.135  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -6.129   1.865   1.140  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1       -5.618   1.181   2.233  0.00  0.00    +0.115 A 
ATOM     29  N   LIG    1       -4.765   0.136   2.137  0.00  0.00    -0.219 NA
BRANCH  25  30
ATOM     30  N   LIG    1       -4.506  -0.104  -1.564  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1       -4.174   0.756  -2.391  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -4.573  -1.320  -1.788  0.00  0.00    -0.126 OA
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7