REMARK  Name = BDB032156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   0.451  -1.955  0.00  0.00    -0.007 A 
ATOM      2  C   LIG    1       -1.066   0.753  -0.979  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.248   0.032  -0.992  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -3.412   0.142  -0.107  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.305  -0.843  -0.494  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.865  -1.537  -1.699  0.00  0.00    +0.147 C 
ATOM      7  O   LIG    1       -3.538   0.978   0.764  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.513  -0.965  -1.921  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -1.571  -1.272  -2.874  0.00  0.00    +0.129 A 
ATOM     10  F   LIG    1       -1.805  -2.235  -3.774  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.362  -0.574  -2.894  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -5.665  -1.000   0.012  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1       -6.522   0.198  -0.399  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -6.714   0.493  -1.579  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.036   0.974   0.608  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.586   1.768   0.314  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.759   0.921   1.949  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.243   1.749   2.718  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.824  -0.161   2.425  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.782  -1.357   1.491  0.00  0.00    +0.041 C 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.215   1.183  -1.973  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.094   0.505  -1.073  0.00  0.00    -0.445 OA
BRANCH  22  25
ATOM     23  N   LIG    1        4.074   0.323  -0.121  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        3.556  -0.434   0.304  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        3.340   1.046  -1.017  0.00  0.00    +0.405 C 
ATOM     26  O   LIG    1        3.691   2.012  -1.676  0.00  0.00    -0.226 OA
BRANCH  23  30
ATOM     27  C   LIG    1        7.803  -1.249   2.667  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        7.253  -0.270   1.672  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        5.931  -0.381   1.219  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1        5.412   0.508   0.265  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        6.236   1.512  -0.245  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        7.557   1.617   0.192  0.00  0.00    +0.043 A 
ATOM     33 CL   LIG    1        8.574   2.852  -0.449  0.00  0.00    -0.083 Cl
ATOM     34  C   LIG    1        8.070   0.732   1.139  0.00  0.00    +0.023 A 
ENDBRANCH  23  30
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5