REMARK  Name = BDB016050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.039  -2.821   0.483  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -1.585  -1.525   0.242  0.00  0.00    +0.133 A 
ATOM      3  N   LIG    1       -0.293  -1.188   0.432  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        0.572  -2.126   0.861  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        0.229  -3.397   1.115  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -1.066  -3.712   0.906  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -7.235  -3.673   0.364  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -5.754  -3.729   0.279  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1       -4.791  -2.392   0.754  0.00  0.00    -0.051 S 
ATOM     10  C   LIG    1       -3.403  -3.312   0.304  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -3.705  -4.529  -0.112  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -5.063  -4.765  -0.142  0.00  0.00    -0.146 NA
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1        1.979  -1.725   1.060  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.428  -0.432   0.713  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.763  -0.029   0.887  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.670  -0.944   1.433  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        4.256  -2.228   1.787  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.927  -2.611   1.599  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        4.177   1.313   0.505  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        5.466   1.693   0.185  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        5.412   3.020  -0.127  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        6.512   3.863  -0.529  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        4.178   3.543  -0.039  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        3.427   2.504   0.339  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   2  25
ATOM     25  N   LIG    1       -2.451  -0.537  -0.271  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.278  -0.497   0.321  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.878   0.795  -0.506  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -3.026   1.813  -0.592  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -2.529   3.244  -0.821  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1       -1.152   3.300  -1.463  0.00  0.00    +0.249 C 
ATOM     31  F   LIG    1       -0.205   3.205  -0.492  0.00  0.00    -0.206 F 
ATOM     32  F   LIG    1       -0.979   4.505  -2.055  0.00  0.00    -0.206 F 
ATOM     33  C   LIG    1       -0.936   2.187  -2.466  0.00  0.00    +0.077 C 
ATOM     34  C   LIG    1       -1.067   0.804  -1.821  0.00  0.00    +0.028 C 
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 5