REMARK  Name = BDB022011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.970   0.309  -1.471  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.066   0.999  -0.564  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.255   0.091  -0.261  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.927  -0.339  -1.490  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.309  -0.459  -1.632  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.871  -0.520  -2.723  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.113  -0.441  -2.697  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.336  -0.769  -2.367  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.155  -0.524  -0.418  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        3.895  -1.462   0.590  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        4.723  -1.518   1.712  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.808  -0.651   1.808  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1        6.601  -0.707   2.886  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        6.088   0.267   0.801  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        5.263   0.327  -0.324  0.00  0.00    +0.016 A 
ENDBRANCH   5   9
BRANCH   1  17
ATOM     16  O   LIG    1       -2.238  -1.458  -0.412  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -2.115  -0.258  -0.624  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1       -2.936   0.739  -0.124  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -2.720   1.696  -0.385  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.073   0.601   0.708  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1       -4.760   1.769   1.097  0.00  0.00    +0.064 A 
ATOM     22 CL   LIG    1       -4.223   3.330   0.570  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -5.889   1.707   1.917  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -6.343   0.469   2.358  0.00  0.00    +0.042 A 
ATOM     25 CL   LIG    1       -7.731   0.378   3.369  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -5.679  -0.697   1.986  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -4.548  -0.632   1.164  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3