REMARK  Name = BDB020043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.903   2.305  -0.125  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.405   1.895  -0.424  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.642   0.702  -1.119  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.440  -0.074  -1.548  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.758   0.302  -1.246  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.974   1.491  -0.532  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.848   4.813  -1.468  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -1.601   4.730   0.013  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -1.145   3.546   0.619  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.919   3.581   2.004  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.154   4.748   2.722  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -1.615   5.853   2.035  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -1.852   6.980   2.722  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1       -1.846   5.872   0.708  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        2.052   0.299  -1.379  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.284  -1.048  -1.555  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        1.556  -1.713  -1.332  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.938   1.147  -1.392  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.626  -1.573  -1.663  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.101  -2.086  -0.327  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.644  -1.199   0.617  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.056  -1.656   1.873  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        5.708  -0.499   2.978  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        4.924  -3.010   2.197  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        5.406  -3.650   3.728  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        4.378  -3.898   1.265  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        3.965  -3.438   0.012  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.919  -0.580  -1.652  0.00  0.00    +0.141 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.011  -1.762  -0.813  0.00  0.00    -0.315 N 
ATOM     30  C   LIG    1       -2.228  -2.884  -0.919  0.00  0.00    +0.089 C 
ATOM     31  N   LIG    1       -1.567  -3.316  -1.931  0.00  0.00    -0.289 NA
ATOM     32  H   LIG    1       -1.757  -2.723  -2.740  0.00  0.00    +0.188 HD
ATOM     33  C   LIG    1       -2.193  -3.628   0.395  0.00  0.00    +0.072 C 
ATOM     34  C   LIG    1       -3.403  -3.031   1.106  0.00  0.00    +0.026 C 
ATOM     35  C   LIG    1       -3.502  -1.610   0.554  0.00  0.00    +0.107 C 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6