REMARK  Name = BDB053111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.970   2.653   1.362  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.296   1.951   0.634  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.385   0.585   0.440  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.602   0.090  -0.502  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        1.331   1.346  -0.900  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.375   1.534  -1.794  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.866   2.831  -1.976  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.314   3.919  -1.275  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.259   3.728  -0.382  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.792   2.437  -0.220  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.518  -0.979   0.082  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.704  -2.214  -0.567  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.548  -3.191  -0.029  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.219  -2.945   1.165  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        4.256  -4.147   1.827  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.056  -1.731   1.826  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.213  -0.755   1.288  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.092  -0.370  -1.644  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -0.935   0.113  -1.624  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1       -1.337  -0.261   1.137  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.574  -0.530   0.315  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -2.759  -1.772  -0.312  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -3.893  -2.007  -1.091  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.841  -1.001  -1.244  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1       -5.928  -1.229  -1.993  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -4.675   0.237  -0.636  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -3.542   0.474   0.142  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4