REMARK  Name = BDB047292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.125  -1.075  -0.841  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -2.980  -0.050  -1.230  0.00  0.00    +0.164 A 
ATOM      3  O   LIG    1       -3.990  -0.164  -2.181  0.00  0.00    -0.407 OA
ATOM      4  C   LIG    1       -4.570   1.111  -2.180  0.00  0.00    +0.421 A 
ATOM      5  N   LIG    1       -3.917   1.945  -1.295  0.00  0.00    -0.274 N 
ATOM      6  O   LIG    1       -5.528   1.408  -2.880  0.00  0.00    -0.223 OA
ATOM      7  C   LIG    1       -2.928   1.215  -0.677  0.00  0.00    +0.092 A 
ATOM      8  C   LIG    1       -2.036   1.546   0.315  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1       -1.152   0.547   0.732  0.00  0.00    +0.085 A 
ATOM     10 CL   LIG    1       -0.085   0.936   2.035  0.00  0.00    -0.080 Cl
ATOM     11  C   LIG    1       -1.159  -0.740   0.132  0.00  0.00    +0.147 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.301   3.299  -0.982  0.00  0.00    +0.125 C 
ATOM     13  C   LIG    1       -5.292   3.360   0.169  0.00  0.00    +0.027 C 
ENDBRANCH   5  12
BRANCH   1  14
ATOM     14  C   LIG    1       -2.316  -2.462  -1.399  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.252  -3.586   0.693  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -3.487  -3.223  -0.766  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH  11  17
ATOM     17  O   LIG    1       -0.270  -1.689   0.585  0.00  0.00    -0.471 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.839  -1.891  -0.311  0.00  0.00    +0.311 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.016  -1.016   0.094  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.478  -0.009  -0.765  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        3.572   0.782  -0.406  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.226   0.589   0.819  0.00  0.00    -0.045 A 
ATOM     23  C   LIG    1        3.756  -0.412   1.679  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.663  -1.205   1.323  0.00  0.00    +0.008 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.409   1.446   1.236  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        6.580   1.308   0.260  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1        5.006   2.914   1.400  0.00  0.00    +0.012 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
BRANCH  18  28
ATOM     28  C   LIG    1        1.221  -3.391  -0.346  0.00  0.00    +0.351 C 
ATOM     29  O   LIG    1        0.501  -4.303   0.040  0.00  0.00    -0.246 OA
BRANCH  28  30
ATOM     30  O   LIG    1        2.426  -3.658  -0.918  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        2.961  -2.868  -1.134  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  18
ENDBRANCH  11  17
TORSDOF 9