REMARK  Name = BDB053220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.017  -0.859  -0.528  0.00  0.00    +0.009 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.600   0.470  -1.006  0.00  0.00    +0.074 C 
BRANCH   2  12
ATOM      3  O   LIG    1       -6.680  -0.870  -2.942  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -6.119  -0.309  -2.009  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1       -6.864   0.277  -0.881  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -6.127   0.895   0.136  0.00  0.00    +0.096 A 
ATOM      7  C   LIG    1       -6.841   1.450   1.210  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -8.240   1.386   1.257  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -8.951   0.764   0.230  0.00  0.00    +0.002 A 
ATOM     10 CL   LIG    1       -6.025   2.234   2.518  0.00  0.00    -0.081 Cl
ATOM     11  N   LIG    1       -4.717   0.961   0.090  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -4.107   0.440  -0.922  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -8.263   0.207  -0.845  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -4.756  -0.186  -1.949  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -4.244  -0.585  -2.723  0.00  0.00    +0.170 HD
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.497  -0.955  -0.696  0.00  0.00    +0.016 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.276  -0.004   0.231  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.732  -0.058   0.018  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        2.398   1.024   0.764  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.894   1.092   0.415  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        4.561  -0.260   0.491  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.805  -1.374   0.487  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        2.303  -1.361   0.399  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        6.035  -0.316   0.559  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        6.684  -1.182   1.457  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        8.078  -1.221   1.531  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        8.831  -0.392   0.710  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1       10.168  -0.428   0.780  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        8.215   0.477  -0.182  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        6.820   0.516  -0.254  0.00  0.00    +0.011 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6