REMARK  Name = BDB054032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.963  -0.072  -0.582  0.00  0.00    +0.234 A 
ATOM      2  N   LIG    1        1.243  -0.512   0.448  0.00  0.00    -0.133 NA
ATOM      3  N   LIG    1        0.084   0.176   0.347  0.00  0.00    -0.260 N 
ATOM      4  C   LIG    1        0.076   1.070  -0.702  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.297   0.908  -1.329  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1        3.206  -0.532  -0.837  0.00  0.00    -0.473 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.348  -0.961   1.261  0.00  0.00    +0.051 C 
ATOM      8  C   LIG    1        3.683  -1.569   0.028  0.00  0.00    +0.169 C 
ATOM      9  C   LIG    1        4.709  -2.367  -0.774  0.00  0.00    +0.051 C 
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   3  10
ATOM     10  C   LIG    1       -0.956  -0.056   1.351  0.00  0.00    +0.180 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -2.086  -0.917   0.830  0.00  0.00    -0.008 A 
ATOM     12  C   LIG    1       -3.437  -0.545   0.950  0.00  0.00    +0.047 A 
ATOM     13 CL   LIG    1       -3.917   0.939   1.695  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -4.455  -1.376   0.471  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -4.135  -2.594  -0.119  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -5.388  -3.617  -0.705  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -2.808  -2.995  -0.231  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.792  -2.165   0.246  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
ENDBRANCH   3  10
BRANCH   4  19
ATOM     19  C   LIG    1       -1.057   1.982  -1.044  0.00  0.00    +0.066 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.916   3.334  -0.350  0.00  0.00    +0.126 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.061   4.249  -0.706  0.00  0.00    +0.305 C 
ATOM     22  O   LIG    1       -3.021   3.941  -1.393  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -1.922   5.482  -0.166  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1       -1.109   5.597   0.361  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 8