REMARK  Name = BDB033052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233   1.134  -1.707  0.00  0.00    +0.102 C 
ATOM      2  C   LIG    1        0.987   1.308  -0.800  0.00  0.00    +0.131 C 
ATOM      3  N   LIG    1        2.092   1.115  -1.712  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.716   0.365  -2.818  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.455  -0.045  -3.699  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.231   0.104  -2.741  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.631  -0.354  -0.308  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -1.503   0.828  -1.042  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -2.611   1.735  -1.312  0.00  0.00    +0.132 C 
ATOM     10  O   LIG    1       -0.680  -1.076  -0.015  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -4.595  -1.232   3.595  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.376  -1.224   2.111  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -3.150  -0.804   1.578  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.960  -0.764   0.191  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -3.983  -1.170  -0.670  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -5.211  -1.575  -0.148  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.407  -1.592   1.237  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -3.790  -1.169  -2.023  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -4.516  -1.656  -2.447  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        3.472   1.357  -1.337  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.999   0.337  -0.347  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        4.239   0.640   1.014  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        4.718  -0.376   1.866  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.955  -1.665   1.389  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.719  -1.961   0.052  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.247  -0.971  -0.807  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.009   2.022   1.581  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        4.789   2.967   0.984  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.272   2.121   2.915  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        2.724   2.449   1.431  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6