REMARK  Name = BDB004806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.804   1.811   3.151  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.994   0.293   3.099  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.210  -0.548   2.695  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.160  -0.103   1.756  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.246  -0.900   1.385  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.389  -2.163   1.971  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        1.459  -2.625   2.902  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.375  -1.825   3.257  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.216  -0.522   0.432  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.958  -1.193   0.283  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        3.293   0.671  -0.263  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1        2.570   1.652  -0.143  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        4.412   0.754  -1.242  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        5.064   1.982  -1.404  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        6.107   2.092  -2.318  0.00  0.00    +0.142 A 
ATOM     16  F   LIG    1        6.726   3.274  -2.449  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        6.503   0.995  -3.083  0.00  0.00    +0.076 A 
ATOM     18 CL   LIG    1        7.793   1.130  -4.213  0.00  0.00    -0.081 Cl
ATOM     19  C   LIG    1        5.843  -0.227  -2.939  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        4.794  -0.349  -2.021  0.00  0.00    +0.014 A 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  21
ATOM     21  N   LIG    1       -2.219  -0.126   2.397  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1       -2.347  -1.127   2.509  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.412   0.174   1.035  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1       -3.597  -0.248   0.395  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -3.719   0.051  -0.978  0.00  0.00    +0.088 A 
ATOM     26  C   LIG    1       -4.889  -0.380  -1.639  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -5.907  -1.071  -0.952  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -5.786  -1.343   0.401  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1       -2.741   0.727  -1.620  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -1.676   1.110  -0.908  0.00  0.00    +0.223 A 
ATOM     31  C   LIG    1       -4.641  -0.932   1.068  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1       -1.477   0.871   0.385  0.00  0.00    -0.220 NA
BRANCH  26  33
ATOM     33  C   LIG    1       -5.144  -0.143  -3.095  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1       -6.171  -0.536  -3.639  0.00  0.00    -0.270 OA
ATOM     35  N   LIG    1       -4.204   0.526  -3.821  0.00  0.00    -0.325 N 
ATOM     36  H   LIG    1       -3.358   0.875  -3.379  0.00  0.00    +0.145 HD
ATOM     37  H   LIG    1       -4.376   0.711  -4.798  0.00  0.00    +0.145 HD
ENDBRANCH  26  33
ENDBRANCH  21  23
ENDBRANCH   2  21
TORSDOF 6