REMARK  Name = BDB047251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.384   1.292  -1.668  0.00  0.00    +0.075 S 
ATOM      2  O   LIG    1       -1.127   2.355  -1.023  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.170   1.497  -2.993  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        3.177   0.108   0.949  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        2.190   0.966   1.445  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.102   1.339   0.652  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.974   0.807  -0.631  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        1.925  -0.088  -1.126  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        3.008  -0.452  -0.322  0.00  0.00    +0.024 A 
BRANCH   4  10
ATOM     10  N   LIG    1        4.198  -0.351   1.790  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1        5.015  -0.693   1.293  0.00  0.00    +0.142 HD
ATOM     12  H   LIG    1        4.443   0.300   2.529  0.00  0.00    +0.142 HD
ENDBRANCH   4  10
ENDBRANCH   1   7
BRANCH   1  13
ATOM     13  N   LIG    1       -1.317  -0.076  -1.774  0.00  0.00    -0.184 N 
ATOM     14  H   LIG    1       -1.726  -0.223  -2.688  0.00  0.00    +0.177 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.194  -0.338  -0.730  0.00  0.00    +0.235 A 
ATOM     16  N   LIG    1       -1.763  -0.231   0.527  0.00  0.00    -0.222 NA
ATOM     17  C   LIG    1       -2.620  -0.654   1.473  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1       -3.848  -1.206   1.191  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -4.157  -1.312  -0.145  0.00  0.00    +0.116 A 
ATOM     20  N   LIG    1       -3.337  -0.905  -1.132  0.00  0.00    -0.222 NA
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 4