REMARK  Name = BDB042566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.773   0.187   0.915  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.424   0.742   1.668  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.654   0.641   1.038  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        2.856   1.104   1.738  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        4.095   0.243   1.431  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        4.343   0.126  -0.020  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1        3.221   0.431  -0.920  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.869   0.047  -0.286  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1        0.298   1.260   2.778  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.630  -0.068  -0.500  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        6.013   0.325  -1.794  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        7.312   0.124  -2.278  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        8.263  -0.486  -1.471  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        9.859  -0.737  -2.060  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.923  -0.893  -0.189  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        6.621  -0.685   0.285  0.00  0.00    +0.024 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -2.043   0.223   1.768  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.447   2.234  -0.452  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.426   0.741  -0.645  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -5.375  -0.070  -0.159  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.421  -1.463  -0.373  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -4.318  -2.311   0.142  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -3.302  -1.657   0.805  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.575  -2.265   1.164  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -3.239  -0.302   1.013  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -4.281  -3.527   0.001  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.492  -2.034  -1.058  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -6.565  -3.353  -1.280  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.526  -1.239  -1.538  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -4.224   0.493   0.568  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.495   0.140  -1.333  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4