REMARK  Name = BDB053134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.879  -1.246  -2.725  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.975  -1.165  -1.917  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.052  -0.882  -0.565  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.257  -0.919   0.087  0.00  0.00    +0.193 C 
ATOM      5  C   LIG    1        1.179  -1.272  -1.061  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.548  -1.502  -1.078  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        3.151  -1.831  -2.297  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.388  -1.936  -3.475  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.010  -1.720  -3.451  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.438  -1.394  -2.235  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.320  -2.006   1.179  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.770  -1.710   2.481  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.831  -2.700   3.466  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.448  -4.003   3.165  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        0.524  -5.221   4.378  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.003  -4.327   1.887  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.059  -3.337   0.902  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1       -2.312  -0.772   0.148  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.786   0.647   0.336  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.885   1.199   1.621  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.349   2.505   1.798  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.711   3.268   0.690  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -4.272   4.879   0.908  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.622   2.733  -0.593  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.166   1.425  -0.769  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1        0.560   0.351   0.671  0.00  0.00    -0.340 OA
BRANCH  26  27
ATOM     27  C   LIG    1        0.619   1.495  -0.167  0.00  0.00    +0.147 C 
ATOM     28  C   LIG    1        2.029   1.770  -0.706  0.00  0.00    +0.071 C 
ATOM     29  C   LIG    1        2.204   3.287  -0.665  0.00  0.00    +0.140 C 
ATOM     30  C   LIG    1        1.268   3.685   0.417  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        0.400   2.705   0.691  0.00  0.00    +0.003 C 
BRANCH  29  32
ATOM     32  O   LIG    1        3.524   3.642  -0.305  0.00  0.00    -0.388 OA
ATOM     33  H   LIG    1        4.114   3.283  -0.988  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 6