REMARK  Name = BDB060376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.697   0.219  -0.167  0.00  0.00    -0.293 N 
ATOM      2  H   LIG    1       -0.833  -0.754  -0.396  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        0.588   0.520   0.240  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        1.503  -0.232  -0.466  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        1.133  -0.690  -1.286  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1        0.835   1.352   1.102  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.902  -0.272  -0.291  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        3.561   0.354   0.773  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        4.959   0.240   0.849  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        5.710  -0.473  -0.087  0.00  0.00    +0.102 A 
ATOM     11  N   LIG    1        7.081  -0.483   0.143  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1        7.405   0.200   1.227  0.00  0.00    -0.109 NA
ATOM     13  C   LIG    1        5.032  -1.101  -1.148  0.00  0.00    +0.032 A 
ATOM     14  S   LIG    1        6.080   0.870   1.996  0.00  0.00    +0.037 S 
ATOM     15  C   LIG    1        3.637  -0.995  -1.237  0.00  0.00    +0.025 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -1.977   2.330   0.040  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -1.838   0.866   0.469  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.102   0.082   0.160  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1       -3.568  -0.065  -1.157  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1       -4.721  -0.801  -1.413  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1       -5.150  -0.934  -2.675  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -5.430  -1.404  -0.382  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -4.979  -1.271   0.929  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -3.821  -0.534   1.198  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 3