REMARK  Name = BDB042494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.835  -1.056  -0.023  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.635  -0.473   1.147  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -5.898  -2.256   0.192  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -5.239  -1.230   0.302  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1       -5.808   0.124   0.105  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -4.965   1.237   0.261  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -5.483   2.526   0.080  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -6.828   2.703  -0.254  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -7.659   1.595  -0.408  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -3.555   1.043   0.612  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -3.070  -0.198   0.774  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -7.148   0.310  -0.229  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1       -7.984  -0.725  -0.387  0.00  0.00    -0.205 F 
ATOM     14  N   LIG    1       -3.898  -1.286   0.626  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1       -3.533  -2.224   0.750  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.626  -1.299   0.384  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.394  -1.950  -0.688  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        2.609  -2.603  -0.173  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        3.663  -1.625   0.380  0.00  0.00    +0.052 C 
ATOM     20  C   LIG    1        3.853  -0.407  -0.495  0.00  0.00    -0.024 C 
ATOM     21  C   LIG    1        2.972  -0.170  -1.489  0.00  0.00    -0.006 C 
ATOM     22  C   LIG    1        1.769  -1.025  -1.772  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.011   0.492  -0.255  0.00  0.00    +0.067 A 
ATOM     24  N   LIG    1        5.234   1.448  -1.195  0.00  0.00    -0.252 NA
ATOM     25  C   LIG    1        6.285   2.284  -1.013  0.00  0.00    +0.149 A 
ATOM     26  C   LIG    1        7.134   2.217   0.072  0.00  0.00    +0.141 A 
ATOM     27  F   LIG    1        8.156   3.072   0.198  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1        6.908   1.248   1.032  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        5.833   0.372   0.869  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5