REMARK  Name = BDB040806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.278   0.180  -1.115  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1       -0.299   1.105  -0.597  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1        0.731   0.434  -1.538  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1        0.965   1.090  -2.891  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.266  -0.752  -1.540  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -3.248  -1.317  -0.812  0.00  0.00    +0.176 A 
ATOM      7  C   LIG    1       -4.508  -1.511  -0.218  0.00  0.00    +0.170 A 
ATOM      8  F   LIG    1       -5.205  -2.637  -0.443  0.00  0.00    -0.201 F 
ATOM      9  C   LIG    1       -5.105  -0.551   0.618  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -4.414   0.639   0.849  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.161   0.850   0.268  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.549  -0.115  -0.555  0.00  0.00    +0.075 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.481  -0.841   1.197  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -6.791  -0.082   2.481  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -6.285  -0.371   3.563  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -7.630   1.002   2.378  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -7.798   1.510   3.235  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.165   1.555   1.242  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -8.794   2.608   1.289  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -7.878   0.844  -0.057  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.607  -0.634   0.176  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
BRANCH   6  23
ATOM     22  C   LIG    1       -3.290  -3.435  -1.944  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -2.631  -2.213  -1.651  0.00  0.00    -0.490 OA
ENDBRANCH   6  23
ENDBRANCH   1  12
BRANCH   3  24
ATOM     24  N   LIG    1        1.978   0.087  -0.897  0.00  0.00    -0.289 N 
ATOM     25  H   LIG    1        2.436  -0.739  -1.263  0.00  0.00    +0.151 HD
BRANCH  24  26
ATOM     26  C   LIG    1        2.781   0.989  -0.306  0.00  0.00    +0.308 A 
ATOM     27  O   LIG    1        4.045   0.565  -0.019  0.00  0.00    -0.409 OA
ATOM     28  C   LIG    1        4.595   1.681   0.556  0.00  0.00    +0.222 A 
ATOM     29  N   LIG    1        3.748   2.689   0.608  0.00  0.00    -0.111 NA
ATOM     30  N   LIG    1        2.571   2.237   0.049  0.00  0.00    -0.093 NA
BRANCH  28  31
ATOM     31  C   LIG    1        6.059   1.764   1.088  0.00  0.00    +0.078 C 
ATOM     32  C   LIG    1        6.530   0.510   1.875  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1        7.320   0.108   0.659  0.00  0.00    -0.028 C 
ATOM     34  C   LIG    1        6.897  -1.115  -0.128  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        8.405  -1.348  -0.403  0.00  0.00    +0.001 C 
ATOM     36  C   LIG    1        8.715  -0.447   0.819  0.00  0.00    +0.007 C 
ATOM     37  C   LIG    1        7.143   1.465   0.017  0.00  0.00    +0.020 C 
ENDBRANCH  28  31
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 6