REMARK  Name = BDB053113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.998   0.371   1.122  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1        0.447   0.215   1.127  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1        0.923   1.554   0.627  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -0.173   2.369   0.349  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.046   3.659  -0.128  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.248   4.143  -0.330  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.366   3.337  -0.049  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.211   2.034   0.436  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -1.392   1.621   0.672  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -2.518   2.066   0.569  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.947  -0.958   0.294  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.745  -0.993  -1.101  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.198  -2.070  -1.869  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.859  -3.128  -1.253  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        2.416  -4.455  -2.196  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        2.070  -3.120   0.123  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.617  -2.043   0.890  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1        0.836   0.114   2.484  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.169   0.637   2.957  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1       -1.929  -0.637   1.609  0.00  0.00    +0.111 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -3.161  -0.999  -0.599  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -2.409  -1.639   0.558  0.00  0.00    +0.016 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4