REMARK  Name = BDB011605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.213  -0.475   0.561  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.653  -0.434  -0.857  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1        3.943  -0.150  -1.288  0.00  0.00    -0.215 N 
ATOM      4  N   LIG    1        4.083  -0.557  -2.572  0.00  0.00    -0.060 NA
ATOM      5  N   LIG    1        2.893  -0.889  -3.042  0.00  0.00    -0.124 NA
ATOM      6  C   LIG    1        1.985  -0.807  -2.021  0.00  0.00    +0.170 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        5.067   0.362  -0.594  0.00  0.00    +0.086 A 
ATOM      8  C   LIG    1        4.997   1.427   0.310  0.00  0.00    +0.070 A 
ATOM      9 CL   LIG    1        3.598   2.416   0.532  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        6.156   1.840   0.982  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        7.392   1.230   0.746  0.00  0.00    +0.132 A 
ATOM     12  C   LIG    1        7.470   0.206  -0.194  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        6.319  -0.217  -0.869  0.00  0.00    +0.033 A 
BRANCH  11  14
ATOM     14  O   LIG    1        8.424   1.742   1.478  0.00  0.00    -0.406 OA
BRANCH  14  15
ATOM     15  C   LIG    1        9.710   1.168   1.308  0.00  0.00    +0.575 C 
ATOM     16  F   LIG    1       10.145   1.321   0.039  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1       10.578   1.796   2.130  0.00  0.00    -0.133 F 
ATOM     18  F   LIG    1        9.701  -0.144   1.627  0.00  0.00    -0.133 F 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   3   7
BRANCH   6  19
ATOM     19  C   LIG    1        0.580  -1.178  -2.220  0.00  0.00    +0.270 C 
ATOM     20  N   LIG    1       -0.290  -0.564  -1.345  0.00  0.00    -0.274 N 
ATOM     21  H   LIG    1        0.065   0.235  -0.828  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        0.240  -1.926  -3.129  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -1.643  -0.723  -1.226  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.421   0.284  -0.443  0.00  0.00    +0.289 A 
ATOM     25  O   LIG    1       -1.884   1.177   0.197  0.00  0.00    -0.264 OA
ATOM     26  N   LIG    1       -3.769  -0.053  -0.546  0.00  0.00    -0.245 N 
ATOM     27  N   LIG    1       -3.853  -1.305  -1.227  0.00  0.00    -0.287 N 
ATOM     28  C   LIG    1       -4.946  -1.387  -2.205  0.00  0.00    +0.170 C 
ATOM     29  C   LIG    1       -2.543  -1.637  -1.621  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -2.299  -2.933  -2.325  0.00  0.00    +0.067 C 
BRANCH  26  31
ATOM     31  C   LIG    1       -4.737   0.232   0.515  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1       -4.966   1.742   0.691  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1       -6.002   2.025   1.778  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -5.620   1.366   3.101  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -5.383  -0.132   2.937  0.00  0.00    +0.002 C 
ATOM     36  C   LIG    1       -4.351  -0.426   1.850  0.00  0.00    +0.027 C 
ENDBRANCH  26  31
ENDBRANCH  20  23
ENDBRANCH   6  19
TORSDOF 6