REMARK  Name = BDB051805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.614  -1.056  -1.206  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.152  -0.677  -2.305  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.490  -0.753  -2.275  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.466  -0.215  -3.462  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.860  -0.140  -3.522  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.653  -0.518  -2.423  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.012  -1.005  -1.272  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.337  -2.715   0.374  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.021  -1.597   0.007  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        0.974  -0.838   0.678  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        1.139   0.604   0.552  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        2.610   1.000   0.406  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        3.602   0.082   1.177  0.00  0.00    +0.022 C 
ATOM     14  N   LIG    1        4.125  -0.980   0.288  0.00  0.00    -0.310 NA
ATOM     15  H   LIG    1        3.442  -1.196  -0.441  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.425  -0.682  -0.292  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1        6.490  -0.596   0.802  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        6.005   0.143   2.051  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        4.749   0.957   1.755  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1        2.842  -0.632   2.320  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        1.662  -1.462   1.804  0.00  0.00    +0.110 C 
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -4.165  -0.467  -2.548  0.00  0.00    +0.090 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.922  -0.203  -1.266  0.00  0.00    +0.046 A 
ATOM     24  N   LIG    1       -4.982   1.072  -0.647  0.00  0.00    -0.296 N 
ATOM     25  C   LIG    1       -5.667   1.225   0.562  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -5.556   2.531   0.995  0.00  0.00    +0.054 A 
ATOM     27  C   LIG    1       -4.813   3.225   0.028  0.00  0.00    +0.078 A 
ATOM     28 CL   LIG    1       -4.433   4.879   0.120  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -6.352   0.120   1.188  0.00  0.00    +0.273 A 
ATOM     30  O   LIG    1       -6.973   0.194   2.243  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.262  -1.067   0.495  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1       -6.734  -1.854   0.927  0.00  0.00    +0.168 HD
ATOM     33  C   LIG    1       -4.493   2.330  -0.965  0.00  0.00    +0.133 A 
ATOM     34 CL   LIG    1       -3.651   2.672  -2.412  0.00  0.00    -0.062 Cl
ATOM     35  C   LIG    1       -5.575  -1.230  -0.680  0.00  0.00    +0.108 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 3