REMARK  Name = BDB028828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.194   0.079   1.754  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.044   1.301  -1.198  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.022   0.925  -0.633  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -2.828   1.577  -0.813  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -2.853   2.383  -1.423  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -1.577   1.196  -0.380  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -0.592   1.820  -0.769  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.522  -0.055   0.498  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1       -2.848  -0.243   1.235  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -3.984  -0.314   0.227  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        1.194  -0.495   0.793  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.131   0.419   0.302  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        3.228  -0.032  -0.442  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1        3.387  -1.401  -0.688  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.461  -2.315  -0.187  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        1.369  -1.863   0.556  0.00  0.00    +0.015 A 
BRANCH  13  17
ATOM     17  C   LIG    1        4.242   0.900  -0.990  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1        5.184   0.589  -1.697  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        4.038   2.175  -0.620  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        4.766   2.670  -1.051  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  13  17
ENDBRANCH   1  11
TORSDOF 4