REMARK  Name = BDB013183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.424  -0.302   0.293  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.767  -1.264  -0.519  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.415  -1.106  -0.699  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.041  -2.098  -1.557  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.077  -2.860  -1.832  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.322  -0.080  -0.098  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.284   0.807   0.646  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.170  -2.332  -1.175  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.646   0.664   0.831  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  16
ATOM     10  C   LIG    1        4.326   1.778  -0.765  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        4.776   0.657   0.134  0.00  0.00    -0.019 A 
ATOM     12  C   LIG    1        6.110   0.569   0.570  0.00  0.00    +0.075 A 
ATOM     13  N   LIG    1        6.551  -0.421   1.393  0.00  0.00    -0.257 NA
ATOM     14  C   LIG    1        5.670  -1.361   1.781  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        4.337  -1.350   1.426  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        3.869  -0.316   0.609  0.00  0.00    -0.007 A 
BRANCH  12  17
ATOM     17  C   LIG    1        7.150   1.591   0.175  0.00  0.00    +0.268 C 
ATOM     18  F   LIG    1        7.346   1.685  -1.171  0.00  0.00    -0.242 F 
ENDBRANCH  12  17
ENDBRANCH   1  16
BRANCH   6  19
ATOM     19  N   LIG    1       -1.680   0.021  -0.299  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.966   0.954  -0.006  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.565  -0.947   0.343  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.972  -0.720  -0.121  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.817   0.219   0.462  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.573   1.179   1.565  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.010   1.633   1.825  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.799   1.397   0.637  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.100   0.427  -0.032  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.598  -0.271  -1.113  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.771  -1.221  -1.710  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.477  -1.435  -1.216  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.704  -2.349  -1.821  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5