REMARK  Name = BDB049511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.740  -1.536  -0.294  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.524  -1.060  -1.676  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.024  -1.021  -2.013  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.731  -0.149  -1.109  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1        1.978   0.294  -1.517  0.00  0.00    +0.249 C 
ATOM      6  O   LIG    1        2.486   0.030  -2.601  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.139   0.073   0.219  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -0.730  -1.106   0.699  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -3.708  -0.263   0.590  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1       -3.089  -1.438   0.100  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -3.869  -2.599  -0.042  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.217  -2.616   0.309  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.813  -1.464   0.806  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.064  -0.293   0.945  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -3.552   2.079   1.041  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -2.921   0.860   0.677  0.00  0.00    -0.493 OA
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  C   LIG    1        2.717   1.212  -0.631  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        3.793   0.793   0.159  0.00  0.00    +0.100 A 
ATOM     19  C   LIG    1        4.493   1.734   0.926  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.113   3.080   0.896  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.042   3.494   0.106  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.346   2.563  -0.663  0.00  0.00    +0.015 A 
BRANCH  18  23
ATOM     23  S   LIG    1        4.200  -0.932   0.225  0.00  0.00    -0.005 S 
ATOM     24  O   LIG    1        4.941  -1.251  -0.977  0.00  0.00    -0.170 OA
ATOM     25  O   LIG    1        2.986  -1.633   0.600  0.00  0.00    -0.170 OA
ATOM     26  C   LIG    1        5.317  -1.153   1.580  0.00  0.00    +0.200 C 
ENDBRANCH  18  23
ENDBRANCH   5  17
TORSDOF 4