REMARK  Name = BDB039208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.585  -2.958   0.211  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.002  -1.748   0.546  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.546  -1.677   0.510  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.981  -0.283   0.606  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.809   0.849   0.790  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.259   2.137   0.855  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.880   2.348   0.772  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.069   1.218   0.614  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.300   1.046   0.507  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.550  -0.303   0.327  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.586  -0.977   0.359  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.306   0.674   0.855  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.590  -0.064   0.528  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.692  -0.727   1.324  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        4.968  -3.911  -0.251  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.858  -1.005   0.049  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -2.123  -1.109  -1.464  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -3.611  -1.182  -1.813  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.399  -2.023  -0.802  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.258  -1.491   0.634  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -3.087  -0.518   0.811  0.00  0.00    +0.012 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.859  -2.084  -1.190  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -6.452  -1.328  -1.940  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -6.506  -3.101  -0.587  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -7.427  -3.032  -0.916  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        7.562  -4.209   0.108  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        6.926  -2.977   0.449  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -1.244   2.144   0.593  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.672   2.655  -0.772  0.00  0.00    +0.165 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.669   3.702  -0.655  0.00  0.00    -0.268 N 
ATOM     31  N   LIG    1       -2.332   4.879  -0.095  0.00  0.00    -0.178 NA
ATOM     32  C   LIG    1       -3.467   5.585  -0.148  0.00  0.00    +0.154 A 
ATOM     33  C   LIG    1       -4.519   4.857  -0.728  0.00  0.00    +0.078 A 
ATOM     34 CL   LIG    1       -6.104   5.391  -0.969  0.00  0.00    -0.080 Cl
ATOM     35  C   LIG    1       -3.975   3.637  -1.046  0.00  0.00    +0.128 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7