REMARK  Name = BDB030849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.339   1.275   1.750  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.648   2.271   2.648  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -1.805   2.957   2.359  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.580   2.713   1.285  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.180   1.750   0.451  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.083   1.016   0.652  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.145  -0.755  -0.483  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        3.877  -1.233   0.819  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.019  -2.490   1.676  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.736  -0.768   1.492  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.857   0.153   0.921  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.825   0.412   1.877  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.077  -0.387   2.975  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.132   0.620  -0.379  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.240  -1.073   2.740  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.671  -1.730   3.377  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.269   0.162  -1.063  0.00  0.00    +0.025 A 
BRANCH   7  20
ATOM     18  C   LIG    1        7.043  -1.636  -2.746  0.00  0.00    +0.109 C 
ATOM     19  C   LIG    1        5.766  -0.909  -2.403  0.00  0.00    +0.214 C 
ATOM     20  N   LIG    1        5.301  -1.237  -1.145  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1        5.850  -1.899  -0.607  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        5.269  -0.114  -3.191  0.00  0.00    -0.276 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   2  23
ATOM     23  C   LIG    1        0.162   2.614   3.841  0.00  0.00    +0.421 C 
ATOM     24  F   LIG    1        1.497   2.719   3.597  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -0.192   3.813   4.392  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.028   1.710   4.852  0.00  0.00    -0.166 F 
ENDBRANCH   2  23
BRANCH   5  27
ATOM     27  N   LIG    1       -2.966   1.537  -0.654  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1       -3.879   1.963  -0.545  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -2.950   0.234  -1.311  0.00  0.00    +0.087 C 
ATOM     30  C   LIG    1       -3.749   0.356  -2.632  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -5.174   0.673  -2.424  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1       -5.679   0.519  -3.295  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -5.793  -0.083  -1.335  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -4.973  -1.277  -0.858  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -3.567  -0.862  -0.419  0.00  0.00    +0.025 C 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 5