REMARK  Name = BDB042441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.977   0.111   2.013  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.340  -0.436   2.460  0.00  0.00    +0.054 C 
BRANCH   2  12
ATOM      3  O   LIG    1        4.687  -2.731  -0.951  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        4.551  -1.679  -0.338  0.00  0.00    +0.257 A 
ATOM      5  C   LIG    1        5.380  -0.487  -0.635  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        5.172   0.684   0.112  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        5.950   1.816  -0.159  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        6.920   1.769  -1.164  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        7.110   0.597  -1.892  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1        8.043   0.566  -2.852  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        4.148   0.704   1.159  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.405  -0.390   1.393  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        6.349  -0.536  -1.640  0.00  0.00    +0.052 A 
ATOM     14  N   LIG    1        3.618  -1.540   0.666  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1        3.072  -2.372   0.854  0.00  0.00    +0.169 HD
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.335  -0.703   0.881  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -0.970  -0.166   0.459  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -1.413  -0.818  -0.786  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1       -2.684  -0.147  -1.335  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.743   0.025  -0.274  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -3.403  -0.061   1.025  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -1.998  -0.313   1.502  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.131   0.295  -0.702  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -6.214  -0.368  -0.099  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -7.524  -0.123  -0.517  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -7.758   0.783  -1.542  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1       -9.014   1.019  -1.943  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -6.706   1.448  -2.158  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -5.395   1.202  -1.741  0.00  0.00    +0.011 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5