REMARK  Name = BDB033053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.316   0.103   1.110  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.853  -0.437   0.283  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.859  -0.698   1.284  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.311  -0.849   2.548  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.912  -1.138   3.570  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.177  -0.621   2.450  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.628  -2.248   0.133  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.201  -1.167   0.096  0.00  0.00    +0.246 C 
ATOM      9  N   LIG    1        1.634   0.026   0.500  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.281   0.775   0.719  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.608  -1.080  -0.350  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1        4.083  -0.029  -1.154  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        5.424   0.062  -1.536  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.559   1.239  -2.322  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        4.315   1.817  -2.430  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        6.322  -0.940  -1.115  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        5.853  -2.010  -0.344  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1        3.428   1.032  -1.744  0.00  0.00    -0.360 N 
ATOM     19  H   LIG    1        2.430   1.192  -1.685  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1        4.513  -2.082   0.029  0.00  0.00    +0.015 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.234  -1.016   0.953  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.019   0.228   0.591  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.465   0.502  -0.723  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -5.182   1.690  -0.965  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -5.452   2.592   0.064  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.013   2.321   1.355  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.303   1.151   1.616  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.202  -0.447  -1.871  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1       -4.766  -1.671  -1.678  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -2.873  -0.669  -2.071  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -4.682  -0.004  -3.068  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5