REMARK  Name = BDB046345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.789   3.089   1.207  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.284   1.966   1.100  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -2.569   1.783   0.579  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -3.114   0.464   0.259  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1       -4.603   0.475  -0.003  0.00  0.00    -0.003 A 
ATOM      6  C   LIG    1       -5.332   1.609  -0.003  0.00  0.00    +0.026 A 
ATOM      7  N   LIG    1       -6.689   1.591  -0.209  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -7.218   2.456  -0.196  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -7.438   0.462  -0.432  0.00  0.00    +0.257 A 
ATOM     10  C   LIG    1       -6.695  -0.818  -0.461  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -7.398  -2.005  -0.698  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -6.703  -3.202  -0.732  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -5.328  -3.235  -0.537  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -4.628  -2.047  -0.300  0.00  0.00    +0.012 A 
ATOM     15  F   LIG    1       -7.363  -4.345  -0.959  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1       -8.650   0.513  -0.602  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.705   2.959   0.212  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1       -5.300  -0.813  -0.254  0.00  0.00    -0.006 A 
ATOM     19  C   LIG    1       -3.206   2.928  -0.065  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   2  20
ATOM     20  C   LIG    1       -0.565   0.724   1.613  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1        0.930   0.954   1.874  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  N   LIG    1        1.760   0.875   0.656  0.00  0.00    -0.302 NA
ATOM     23  C   LIG    1        3.098   1.453   0.862  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        4.146   0.416   1.256  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        4.327  -0.674   0.173  0.00  0.00    +0.059 C 
ATOM     26  C   LIG    1        3.074  -0.734  -0.729  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1        1.804  -0.478   0.082  0.00  0.00    +0.086 C 
BRANCH  25  28
ATOM     28  N   LIG    1        5.562  -0.496  -0.624  0.00  0.00    -0.299 NA
ATOM     29  C   LIG    1        5.718  -1.486  -1.696  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        7.167  -1.316  -2.120  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        7.886  -0.830  -0.872  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        6.792  -0.628   0.169  0.00  0.00    +0.085 C 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 4