REMARK  Name = BDB063132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.954  -1.775   2.391  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1        1.686  -1.776   3.364  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.265  -1.313   2.323  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        3.867  -1.084   1.146  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        5.149  -0.645   1.134  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        5.842  -0.458   2.313  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1        7.103  -0.008   2.362  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        5.165  -0.742   3.472  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        3.888  -1.174   3.507  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1        5.709  -0.381  -0.210  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        4.861   0.033  -1.260  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.361   0.299  -2.552  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        6.727   0.133  -2.786  0.00  0.00    +0.039 A 
ATOM     14  S   LIG    1        7.067   0.517  -4.432  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1        5.410   0.863  -4.682  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1        7.602  -0.287  -1.776  0.00  0.00    +0.018 A 
ATOM     17  N   LIG    1        4.619   0.722  -3.644  0.00  0.00    -0.247 NA
ATOM     18  C   LIG    1        7.074  -0.539  -0.501  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -1.241  -0.890  -0.136  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1       -0.011  -0.271  -0.262  0.00  0.00    +0.126 A 
ATOM     21  N   LIG    1        1.039  -0.517   0.562  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1        0.897  -1.451   1.527  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1       -0.306  -2.144   1.684  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -1.386  -1.866   0.845  0.00  0.00    +0.018 A 
BRANCH  19  29
ATOM     25  N   LIG    1       -6.277   0.686   0.232  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -6.054  -0.090  -1.010  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -4.628   0.004  -1.584  0.00  0.00    +0.123 C 
ATOM     28  N   LIG    1       -3.596  -0.280  -0.584  0.00  0.00    -0.295 N 
ATOM     29  C   LIG    1       -2.321  -0.562  -1.083  0.00  0.00    +0.248 C 
ATOM     30  O   LIG    1       -2.052  -0.575  -2.281  0.00  0.00    -0.270 OA
ATOM     31  C   LIG    1       -3.791   0.399   0.706  0.00  0.00    +0.123 C 
ATOM     32  C   LIG    1       -5.243   0.299   1.213  0.00  0.00    +0.103 C 
BRANCH  25  34
ATOM     33  C   LIG    1       -6.813   2.945   1.143  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1       -6.316   2.130  -0.046  0.00  0.00    +0.081 C 
ENDBRANCH  25  34
ENDBRANCH  19  29
ENDBRANCH   1  22
TORSDOF 5