REMARK  Name = BDB053126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.098   1.352   2.515  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.468   1.236   1.482  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.329   0.114   0.688  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.497   0.354  -0.481  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        0.862   1.807  -0.327  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        1.621   2.632  -1.143  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.799   3.964  -0.754  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        1.220   4.457   0.430  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.450   3.625   1.245  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.291   2.314   0.840  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.705  -0.572  -0.566  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.952  -1.347  -1.714  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.061  -2.196  -1.786  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.940  -2.279  -0.711  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        5.305  -3.323  -0.799  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.721  -1.522   0.436  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.612  -0.674   0.509  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.342   0.237  -1.613  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -1.159   0.701  -1.367  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1       -0.944  -1.164   0.990  0.00  0.00    +0.148 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.265  -1.345   0.291  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1       -2.368  -2.187  -0.823  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -3.564  -2.362  -1.497  0.00  0.00    -0.147 N 
ATOM     24  O   LIG    1       -3.634  -3.130  -2.504  0.00  0.00    -0.164 OA
ATOM     25  C   LIG    1       -4.681  -1.680  -1.048  0.00  0.00    +0.133 A 
ATOM     26  C   LIG    1       -4.619  -0.830   0.054  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -3.409  -0.664   0.720  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4