REMARK  Name = BDB034450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.700  -1.224   0.111  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.117  -0.970   0.380  0.00  0.00    -0.312 NA
ATOM      3  H   LIG    1        2.500  -1.729   0.945  0.00  0.00    +0.122 HD
BRANCH   2   4
ATOM      4  C   LIG    1        2.879  -0.873  -0.863  0.00  0.00    +0.119 C 
BRANCH   4   7
ATOM      5  F   LIG    1        5.071  -2.514  -1.476  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        5.345  -1.329  -0.910  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        4.301  -0.454  -0.577  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        4.622   0.792   0.014  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        5.977   1.097   0.266  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.996   0.206  -0.073  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        6.677  -1.010  -0.666  0.00  0.00    +0.039 A 
BRANCH   8  12
ATOM     12  C   LIG    1        3.564   1.802   0.417  0.00  0.00    +0.418 C 
ATOM     13  F   LIG    1        3.007   1.546   1.632  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        4.079   3.066   0.526  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        2.540   1.927  -0.472  0.00  0.00    -0.166 F 
ENDBRANCH   8  12
ENDBRANCH   4   7
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.069  -1.265   1.433  0.00  0.00    +0.034 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.558  -1.556   1.229  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.195  -0.458   0.509  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -1.924   0.451   0.882  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.576  -0.484   0.228  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -4.203   0.653  -0.362  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -5.588   0.575  -0.647  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -6.235   1.670  -1.200  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -5.548   2.844  -1.496  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1       -4.187   2.940  -1.247  0.00  0.00    +0.021 A 
ATOM     26 CL   LIG    1       -6.386   4.178  -2.186  0.00  0.00    -0.083 Cl
ATOM     27  N   LIG    1       -6.319  -0.523  -0.416  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1       -5.691  -1.601   0.087  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -3.519   1.852  -0.686  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1       -4.346  -1.634   0.406  0.00  0.00    +0.043 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8