REMARK  Name = BDB035996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.901  -0.966   1.087  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1       -0.622  -0.504   0.718  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.559  -1.014   1.293  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.431  -2.015   2.259  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.826  -2.478   2.653  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.980  -1.954   2.078  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.832  -0.512   0.900  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        3.080  -0.958   1.350  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        3.386  -1.848   2.121  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.095  -0.126   0.690  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.471  -0.179   0.812  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.219   0.736   0.070  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.581   1.670  -0.768  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.179   1.709  -0.886  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.451   0.790  -0.134  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        1.974   0.591  -0.040  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.488   2.713  -1.768  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        4.325   3.379  -2.607  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        2.831   3.663  -1.050  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        2.541   2.137  -2.563  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -3.187  -0.437   0.452  0.00  0.00    +0.094 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -2.416   1.284  -2.196  0.00  0.00    +0.151 C 
ATOM     23  N   LIG    1       -2.857   1.760  -0.913  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -3.182   1.058   0.225  0.00  0.00    +0.141 A 
ATOM     25  N   LIG    1       -3.528   1.935   1.152  0.00  0.00    -0.134 NA
ATOM     26  N   LIG    1       -3.429   3.197   0.630  0.00  0.00    -0.138 NA
ATOM     27  C   LIG    1       -3.028   3.079  -0.609  0.00  0.00    +0.224 A 
ENDBRANCH  21  24
BRANCH  21  28
ATOM     28  C   LIG    1       -3.656  -1.270  -0.742  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -2.705  -2.052  -1.674  0.00  0.00    +0.166 C 
ATOM     30  O   LIG    1       -3.604  -3.192  -1.660  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -4.239  -2.671  -0.464  0.00  0.00    +0.166 C 
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 5