REMARK  Name = BDB042442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.978  -0.475   1.939  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.358  -1.082   2.222  0.00  0.00    +0.054 C 
BRANCH   2  12
ATOM      3  O   LIG    1        4.781  -2.177  -1.695  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        4.612  -1.362  -0.795  0.00  0.00    +0.257 A 
ATOM      5  C   LIG    1        5.404  -0.112  -0.712  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        5.158   0.774   0.350  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        5.901   1.957   0.440  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        6.873   2.243  -0.522  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        7.100   1.349  -1.566  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1        8.035   1.635  -2.482  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        4.131   0.449   1.343  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.423  -0.687   1.230  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        6.375   0.171  -1.674  0.00  0.00    +0.052 A 
ATOM     14  N   LIG    1        3.674  -1.559   0.195  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1        3.155  -2.426   0.120  0.00  0.00    +0.169 HD
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.377  -0.926   0.600  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -0.960  -0.355   0.369  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -2.004  -1.017   1.167  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1       -3.352  -0.290   1.009  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.694  -0.015  -0.436  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -2.731  -0.092  -1.373  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -1.300  -0.435  -1.063  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.087   0.340  -0.775  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -5.812   1.236   0.026  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -7.136   1.563  -0.283  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -7.750   0.991  -1.394  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -9.379   1.391  -1.773  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -7.051   0.095  -2.198  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -5.727  -0.229  -1.887  0.00  0.00    +0.009 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5