REMARK  Name = BDB025356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.877   0.814  -1.228  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -2.446   1.246  -1.153  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -1.568   0.072  -0.824  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -0.234   0.134  -0.805  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1        0.166  -1.128  -0.450  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -0.938  -1.959  -0.212  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        1.534  -1.474  -0.383  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        1.846  -2.642  -0.150  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.054  -1.199  -0.452  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.505  -1.497  -0.371  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1       -4.295  -0.186  -0.198  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.520  -0.333  -0.611  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.021   0.243   0.703  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.322  -0.033   1.164  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.760   0.552   2.363  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        3.910   1.351   3.128  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        2.623   1.595   2.676  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        1.804   2.370   3.399  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        5.249  -0.739   0.387  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        5.959  -1.197   0.954  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        4.708  -1.598  -0.654  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        2.175   1.059   1.476  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        3.683  -0.837  -1.482  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1       -5.088   2.992  -0.146  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1       -4.984   2.018  -1.637  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1       -6.271   1.387  -1.836  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1       -4.386   2.843  -2.664  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   6  28
ATOM     28  N   LIG    1       -0.837  -3.248   0.186  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        0.080  -3.709   0.165  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -1.614  -3.895   0.085  0.00  0.00    +0.144 HD
ENDBRANCH   6  28
TORSDOF 3