REMARK  Name = BDB061702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.654  -0.512   0.117  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -2.086   0.107  -0.998  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -1.224   0.922  -1.643  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        0.080   1.166  -1.223  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        0.518   0.526  -0.060  0.00  0.00    +0.076 A 
ATOM      6  N   LIG    1        1.762   0.702   0.423  0.00  0.00    -0.249 NA
ATOM      7  C   LIG    1        2.623   1.527  -0.231  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        2.251   2.193  -1.399  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.967   2.012  -1.899  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.364  -0.309   0.603  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.505  -1.368   0.853  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1       -2.018  -2.224   1.107  0.00  0.00    +0.154 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -6.136  -0.938   0.043  0.00  0.00    +0.121 A 
ATOM     14  N   LIG    1       -6.645  -2.126   0.430  0.00  0.00    -0.238 NA
ATOM     15  C   LIG    1       -5.788  -3.038   0.942  0.00  0.00    +0.153 A 
ATOM     16  C   LIG    1       -4.432  -2.822   1.078  0.00  0.00    +0.163 A 
ATOM     17  F   LIG    1       -3.643  -3.776   1.597  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -3.886  -1.609   0.663  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1       -4.773  -0.650   0.166  0.00  0.00    +0.069 A 
BRANCH  13  20
ATOM     20  N   LIG    1       -6.974   0.075  -0.456  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -6.563   0.416  -1.322  0.00  0.00    +0.148 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -9.119  -0.117   0.730  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -8.393  -0.265  -0.608  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -9.014   0.693  -1.630  0.00  0.00    +0.027 C 
ENDBRANCH  20  23
ENDBRANCH  13  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   7  25
ATOM     25  C   LIG    1        4.045   1.691   0.337  0.00  0.00    +0.108 C 
ATOM     26  C   LIG    1        4.083   1.344   1.830  0.00  0.00    +0.048 C 
BRANCH  25  27
ATOM     27  C   LIG    1        5.090   0.931  -0.551  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1        4.848  -0.582  -0.726  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        5.534  -1.465   0.318  0.00  0.00    +0.084 C 
ATOM     30  N   LIG    1        6.958  -1.178   0.503  0.00  0.00    -0.305 NA
ATOM     31  C   LIG    1        7.773  -1.631  -0.621  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1        7.174   0.234   0.820  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1        6.567   1.209  -0.191  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
BRANCH  25  34
ATOM     34  O   LIG    1        4.376   3.099   0.268  0.00  0.00    -0.382 OA
ATOM     35  H   LIG    1        3.673   3.574   0.746  0.00  0.00    +0.211 HD
ENDBRANCH  25  34
ENDBRANCH   7  25
TORSDOF 7