REMARK  Name = BDB052619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.032  -0.600  -0.971  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.588   0.682  -0.854  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.890   0.852  -0.373  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.673  -0.252  -0.007  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.116  -1.532  -0.134  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.816  -1.706  -0.616  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.037  -0.070   0.512  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -5.111   0.393  -0.275  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1       -6.372   0.628   0.294  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -6.590   0.373   1.647  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.549  -0.108   2.435  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.286  -0.323   1.875  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.981   0.672  -1.718  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -5.369   1.676  -2.285  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.465  -0.372  -2.389  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -4.455  -0.077  -3.322  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1        1.365  -0.802  -1.507  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1        2.831  -0.323   0.504  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        2.366  -0.044  -0.768  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1        3.046   1.059  -1.242  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        3.898   1.407  -0.198  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1        4.752   2.511  -0.332  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1        4.716   3.233  -1.527  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        3.857   2.876  -2.566  0.00  0.00    +0.017 A 
ATOM     25 BR   LIG    1        5.857   4.729  -1.738  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1        2.999   1.776  -2.445  0.00  0.00    +0.029 A 
ATOM     27  N   LIG    1        3.749   0.554   0.862  0.00  0.00    -0.232 NA
BRANCH  18  28
ATOM     28  C   LIG    1        2.320  -1.442   1.359  0.00  0.00    +0.074 C 
BRANCH  28  30
ATOM     29  C   LIG    1        4.528  -2.625   1.816  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1        3.325  -1.909   2.416  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7