REMARK  Name = BDB060900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.492  -0.179   3.351  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.084  -1.086   4.221  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.345  -1.828   5.057  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.465  -1.267   4.207  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.259  -0.549   3.307  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.674   0.363   2.415  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.287   0.573   2.477  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.507   0.364   4.399  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.969   0.015   3.353  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        1.652  -0.132   2.147  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1        3.076   0.215   2.134  0.00  0.00    +0.182 C 
ATOM     12  C   LIG    1        3.533   0.539   0.743  0.00  0.00    +0.128 A 
ATOM     13  N   LIG    1        4.703   1.029   0.381  0.00  0.00    -0.231 NA
ATOM     14  C   LIG    1        4.645   1.163  -0.985  0.00  0.00    +0.089 A 
ATOM     15  C   LIG    1        3.416   0.735  -1.480  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1        3.086   0.776  -2.841  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        4.068   1.269  -3.709  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1        3.730   1.345  -5.397  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        5.311   1.699  -3.242  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        5.614   1.652  -1.875  0.00  0.00    +0.031 A 
ATOM     21  N   LIG    1        2.741   0.326  -0.362  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1        1.399  -0.213  -0.295  0.00  0.00    +0.142 C 
ATOM     23  C   LIG    1        1.188  -0.953   1.021  0.00  0.00    +0.130 C 
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -3.511   1.111   1.399  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.946   0.962  -0.012  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -3.153  -0.299  -0.770  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -2.478  -0.427  -1.983  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -2.593  -1.596  -2.745  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -3.394  -2.642  -2.291  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.076  -2.518  -1.081  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.634   0.681  -2.456  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -0.952   0.577  -3.469  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -1.643   1.818  -1.687  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -1.074   2.599  -2.001  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -3.958  -1.351  -0.320  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -2.237   1.952  -0.472  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3