REMARK  Name = BDB048003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.020  -0.939  -0.430  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.236  -1.555  -0.206  0.00  0.00    +0.150 A 
ATOM      3  C   LIG    1        0.553  -2.808  -0.756  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1        1.894  -3.380  -0.479  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1        2.821  -2.542   0.299  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1        2.396  -1.365   0.768  0.00  0.00    +0.141 A 
ATOM      7  O   LIG    1        2.276  -4.482  -0.848  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -0.395  -3.468  -1.543  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -1.635  -2.880  -1.780  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1        1.129  -0.860   0.580  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1       -1.938  -1.631  -1.238  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        3.284  -0.489   1.551  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        3.660   0.793   1.114  0.00  0.00    +0.052 A 
ATOM     14 CL   LIG    1        3.139   1.438  -0.406  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        4.496   1.594   1.900  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        4.964   1.127   3.128  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.598  -0.141   3.574  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.763  -0.943   2.792  0.00  0.00    +0.013 A 
ENDBRANCH   6  12
BRANCH   1  22
ATOM     19  C   LIG    1       -3.822   2.637  -1.397  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1       -3.168   1.500  -0.760  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -1.685   1.508  -0.835  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1       -1.323   0.418   0.203  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -2.516   0.365   1.177  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -3.502   1.403   0.663  0.00  0.00    +0.085 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -0.960   2.840  -0.510  0.00  0.00    +0.175 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -1.111   3.796  -1.556  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -0.749   3.400  -2.368  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH   1  22
BRANCH   8  28
ATOM     28  O   LIG    1       -0.131  -4.686  -2.099  0.00  0.00    -0.506 OA
ATOM     29  H   LIG    1       -0.900  -5.002  -2.599  0.00  0.00    +0.292 HD
ENDBRANCH   8  28
BRANCH  11  30
ATOM     30  O   LIG    1       -3.181  -1.161  -1.560  0.00  0.00    -0.506 OA
ATOM     31  H   LIG    1       -3.275  -0.218  -1.304  0.00  0.00    +0.292 HD
ENDBRANCH  11  30
TORSDOF 6