REMARK  Name = BDB033050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.157  -0.593  -1.935  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.608  -0.515  -0.980  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.173  -0.376   0.325  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1        0.828  -0.640   1.050  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.080  -0.603  -1.184  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.988  -0.011  -0.294  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        4.374  -0.102  -0.510  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        4.826  -0.796  -1.645  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        3.926  -1.376  -2.542  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.555  -1.275  -2.315  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.326   0.522   0.422  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.324   0.191   1.787  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        6.227   0.786   2.672  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.145   1.724   2.207  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.163   2.065   0.857  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.261   1.468  -0.028  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -1.243  -0.477   0.643  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1       -2.146   0.523  -0.086  0.00  0.00    +0.130 C 
ATOM     19  N   LIG    1       -3.240   0.727   0.832  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1       -2.941   0.312   2.114  0.00  0.00    +0.218 C 
ATOM     21  O   LIG    1       -3.668   0.380   3.090  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -1.524  -0.200   2.121  0.00  0.00    +0.119 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.494   1.332   0.436  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.400   0.335  -0.243  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1       -6.085  -0.627   0.517  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -6.910  -1.572  -0.102  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -7.718  -2.720   0.906  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -7.054  -1.564  -1.493  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1       -8.055  -2.698  -2.330  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -6.371  -0.613  -2.257  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -5.547   0.329  -1.637  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 5