REMARK  Name = BDB048253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.050  -2.128  -0.334  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        0.228  -1.990  -0.194  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1        1.082  -3.062  -0.248  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1        0.595  -4.407  -0.469  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        2.424  -2.802  -0.086  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        3.332  -3.621  -0.106  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        2.635  -1.342   0.125  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        3.861  -0.828   0.293  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1        1.129  -0.515   0.080  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.611   1.214  -0.151  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -3.056   0.810  -1.372  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.204  -0.296  -1.430  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -1.887  -1.007  -0.271  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -2.462  -0.624   0.942  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.314   0.481   1.005  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -5.993   1.986  -0.303  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -4.544   2.396  -0.089  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1        4.194   0.588   0.491  0.00  0.00    -0.021 A 
ATOM     19  C   LIG    1        5.038   1.224  -0.418  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        5.359   2.554  -0.200  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        4.908   3.273   0.849  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        4.101   2.633   1.721  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        3.724   1.306   1.591  0.00  0.00    +0.027 A 
ENDBRANCH   8  18
TORSDOF 3