REMARK  Name = BDB053106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.164   1.396  -0.855  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.992   0.557  -1.117  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -2.115   1.360  -0.510  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -1.605   2.522   0.066  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.401   3.456   0.701  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.772   3.199   0.754  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.305   2.033   0.173  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.477   1.104  -0.467  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.156   2.544  -0.156  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.583   3.438   0.207  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.885  -0.852  -0.546  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.985  -1.985  -1.374  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.873  -3.275  -0.847  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.661  -3.450   0.517  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -0.509  -5.037   1.162  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -0.568  -2.348   1.361  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -0.682  -1.059   0.834  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -1.169   0.550  -2.523  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -1.224   1.485  -2.776  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1        1.503   1.084  -1.321  0.00  0.00    +0.146 C 
BRANCH  20  24
ATOM     21  C   LIG    1        3.703  -1.393   1.454  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1        3.305  -1.908   0.218  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        2.604  -1.103  -0.685  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.287   0.223  -0.359  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.699   0.734   0.881  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.402  -0.069   1.783  0.00  0.00    +0.019 A 
BRANCH  21  28
ATOM     27  N   LIG    1        4.995  -2.889   3.135  0.00  0.00    -0.191 NA
ATOM     28  C   LIG    1        4.417  -2.220   2.382  0.00  0.00    +0.099 C 
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5