REMARK  Name = BDB053103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.300  -2.309  -2.247  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.262  -1.734  -1.335  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.033  -0.455  -0.862  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.909  -0.104   0.241  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -1.727  -1.355   0.419  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.725  -1.653   1.335  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.324  -2.917   1.275  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.921  -3.863   0.315  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.911  -3.563  -0.600  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.337  -2.308  -0.521  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.755   1.136  -0.025  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.792   2.204   0.890  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.571   3.338   0.643  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.328   3.419  -0.522  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -4.286   4.815  -0.826  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.313   2.375  -1.443  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.534   1.242  -1.196  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.101   0.041   1.392  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.657  -0.544   1.226  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        0.954   0.444  -1.431  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.266   0.403  -0.682  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.616   1.439   0.198  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.821   1.393   0.904  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.682   0.302   0.732  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        4.343  -0.741  -0.138  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        3.136  -0.687  -0.840  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.948   0.251   1.472  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        6.217   1.201   2.221  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        6.673  -0.741   1.308  0.00  0.00    -0.126 OA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5