REMARK  Name = BDB053101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.648  -3.378   1.135  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.155  -2.469   1.057  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.038  -1.127   1.323  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -1.158  -0.332   1.103  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -2.170  -1.379   0.709  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -3.518  -1.254   0.411  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.230  -2.408   0.066  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.596  -3.664   0.026  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.240  -3.787   0.334  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.559  -2.632   0.669  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.990   0.764   0.057  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.633   0.446  -1.270  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.446   1.448  -2.227  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.614   2.783  -1.872  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -0.364   4.015  -3.044  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.976   3.124  -0.572  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.166   2.121   0.384  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -1.530   0.191   2.368  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -1.686  -0.584   2.932  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        1.289  -0.578   1.812  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.162  -0.017   0.715  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        2.356   1.368   0.598  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        3.123   1.881  -0.459  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1        3.719   1.023  -1.390  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.543  -0.354  -1.264  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        2.769  -0.870  -0.221  0.00  0.00    +0.005 A 
BRANCH  23  27
ATOM     27  N   LIG    1        3.291   3.333  -0.593  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        3.998   3.748  -1.523  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        2.723   4.060   0.235  0.00  0.00    -0.126 OA
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5