REMARK  Name = BDB058575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.780   0.755   2.405  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        1.046   1.192   1.531  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1        0.205   0.380   0.463  0.00  0.00    +0.140 C 
ATOM      4  C   LIG    1       -0.486   1.537  -0.261  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -0.099   2.754   0.301  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -0.557   3.971  -0.160  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.438   3.950  -1.241  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.829   2.740  -1.837  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -2.047   5.435  -1.865  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -1.345   1.520  -1.351  0.00  0.00    +0.009 A 
ATOM     11  N   LIG    1        0.793   2.545   1.337  0.00  0.00    -0.283 N 
ATOM     12  H   LIG    1        1.225   3.262   1.901  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3  13
ATOM     13  N   LIG    1        1.045  -0.342  -0.544  0.00  0.00    -0.322 N 
ATOM     14  H   LIG    1        1.254   0.303  -1.311  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.291  -0.857  -0.107  0.00  0.00    +0.099 A 
ATOM     16  C   LIG    1        2.421  -1.980   0.719  0.00  0.00    +0.147 A 
ATOM     17  F   LIG    1        1.342  -2.685   1.085  0.00  0.00    -0.203 F 
ATOM     18  C   LIG    1        3.670  -2.428   1.155  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        4.830  -1.755   0.773  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        4.733  -0.635  -0.048  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        3.479  -0.201  -0.475  0.00  0.00    +0.147 A 
ATOM     22  F   LIG    1        3.404   0.889  -1.257  0.00  0.00    -0.203 F 
ENDBRANCH  13  15
ENDBRANCH   3  13
BRANCH   3  23
ATOM     23  C   LIG    1       -0.790  -0.516   1.239  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.873  -1.213   0.439  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -3.211  -0.801   0.549  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.207  -1.438  -0.192  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -5.839  -0.909  -0.057  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -3.891  -2.493  -1.044  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.567  -2.916  -1.153  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -1.566  -2.281  -0.415  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 4