REMARK  Name = BDB053048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.496  -2.791  -1.392  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.551  -2.195  -0.912  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.502  -1.450   0.248  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.828  -0.899   0.515  0.00  0.00    +0.193 C 
ATOM      5  C   LIG    1       -1.625  -1.424  -0.664  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.977  -1.311  -0.966  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.454  -1.925  -2.129  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.592  -2.655  -2.967  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.241  -2.791  -2.648  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.793  -2.173  -1.496  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.403  -1.452   1.836  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.067  -0.612   2.750  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.606  -1.118   3.937  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.495  -2.474   4.226  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.159  -3.096   5.686  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.851  -3.331   3.338  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.312  -2.825   2.152  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        1.658  -1.211   1.096  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.461  -0.007   0.660  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        2.281   1.234   1.291  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        2.928   2.374   0.813  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        3.768   2.268  -0.301  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.995   1.033  -0.917  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.338  -0.100  -0.433  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        4.385   3.474  -0.855  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        5.393   3.334  -1.563  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        3.865   4.567  -0.579  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  28
ATOM     28  O   LIG    1       -0.683   0.514   0.637  0.00  0.00    -0.340 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -1.109   1.373  -0.404  0.00  0.00    +0.147 C 
ATOM     30  C   LIG    1       -0.223   1.360  -1.656  0.00  0.00    +0.071 C 
ATOM     31  C   LIG    1       -0.010   2.824  -2.046  0.00  0.00    +0.140 C 
ATOM     32  C   LIG    1       -0.336   3.565  -0.797  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -0.942   2.776   0.096  0.00  0.00    +0.003 C 
BRANCH  31  34
ATOM     34  O   LIG    1        1.337   3.048  -2.416  0.00  0.00    -0.388 OA
ATOM     35  H   LIG    1        1.471   4.011  -2.458  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 7