REMARK  Name = BDB049209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.086  -1.634   1.239  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.221  -0.965  -0.157  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        1.185  -0.386  -0.443  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.953  -0.555   0.799  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.440  -1.798   1.389  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.311   0.073  -0.243  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.431   0.069  -1.138  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.187   1.216  -0.878  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.363   1.514  -1.585  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.778   0.622  -2.579  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.045  -0.526  -2.858  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -2.546   1.896   0.134  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -2.993   3.144   0.709  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -2.874  -0.813  -2.147  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.420   1.223   0.518  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  C   LIG    1       -2.284  -2.570   1.699  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -0.857  -2.863   1.539  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -0.679  -3.955   0.585  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        3.405  -0.583   0.611  0.00  0.00    +0.124 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.977   0.771   0.268  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.368   1.149  -1.024  0.00  0.00    +0.048 A 
ATOM     22 CL   LIG    1        4.269   0.071  -2.373  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        4.873   2.433  -1.274  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.997   3.359  -0.240  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.619   2.999   1.049  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.117   1.721   1.290  0.00  0.00    +0.129 A 
ATOM     27  F   LIG    1        3.780   1.406   2.550  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4