REMARK  Name = BDB021332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.756  -0.438   0.665  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.414  -1.498  -0.226  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.116  -1.969  -0.167  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.033  -3.035  -1.033  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.271  -3.111  -1.627  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.852  -1.423   0.695  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.523  -0.472   1.527  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.121  -2.157  -1.127  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.770   0.005   1.476  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.977   2.099   0.870  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.641   1.421   0.821  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -5.004   1.019   1.999  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.745   0.411   1.954  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.089   0.209   0.731  0.00  0.00    -0.013 A 
ATOM     15  C   LIG    1       -3.732   0.616  -0.446  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -4.990   1.223  -0.402  0.00  0.00    +0.004 A 
ENDBRANCH   1  14
BRANCH   5  17
ATOM     17  C   LIG    1       -1.693  -4.048  -2.623  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -1.997  -4.824  -3.432  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        2.152  -1.886   0.705  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.606  -1.459   1.511  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.016  -1.712  -0.461  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.281  -0.262  -0.744  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.213   0.489  -0.035  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.083   0.116   1.106  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        6.006   1.335   1.127  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        5.336   2.443   0.486  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        4.395   1.841  -0.307  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        3.668   2.505  -1.274  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        2.731   1.771  -2.000  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        2.547   0.409  -1.732  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        1.628  -0.264  -2.441  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5