REMARK  Name = BDB040585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.536  -0.076   1.804  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.951   0.138   1.693  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.491   1.424   1.646  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.874   1.617   1.515  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.400   3.266   1.430  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.768   0.528   1.429  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.200  -0.764   1.448  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.143  -2.209   1.280  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.817  -0.952   1.579  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.272   0.763   1.301  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.101  -0.001   2.331  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.742  -0.165   3.496  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.339  -0.435   1.920  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.883  -0.928   2.615  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -8.014  -0.082   0.779  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -9.194  -0.382   0.623  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.259   0.766  -0.215  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.763   0.514  -0.130  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.372  -1.421  -0.096  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.126  -0.198   0.492  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.265   0.649  -0.048  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.184  -2.482   0.497  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        1.902  -1.358  -1.543  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        2.130  -2.784  -2.086  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        0.819  -0.702  -2.427  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1        5.563   0.768  -1.535  0.00  0.00    +0.233 A 
ATOM     27  N   LIG    1        5.518  -0.376  -0.821  0.00  0.00    -0.218 NA
ATOM     28  C   LIG    1        4.333  -1.034  -0.851  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        3.217  -0.584  -1.563  0.00  0.00    +0.074 A 
ATOM     30  N   LIG    1        3.273   0.582  -2.260  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        4.463   1.236  -2.235  0.00  0.00    +0.178 A 
BRANCH  26  32
ATOM     32  O   LIG    1        6.712   1.527  -1.578  0.00  0.00    -0.476 OA
BRANCH  32  34
ATOM     33  C   LIG    1        7.819   1.387   0.580  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        7.828   0.970  -0.881  0.00  0.00    +0.227 C 
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 7