REMARK  Name = BDB028764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.162  -2.761  -0.332  0.00  0.00    +0.151 C 
ATOM      2  N   LIG    1       -1.694  -1.408  -0.156  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1       -2.388  -0.261  -0.477  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.511   0.770  -0.143  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -1.900   2.103  -0.346  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -3.167   2.363  -0.881  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.029   1.316  -1.209  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1       -0.335   0.278   0.361  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1       -3.659  -0.020  -1.015  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.474  -1.026   0.343  0.00  0.00    +0.170 A 
ENDROOT
BRANCH  10  11
ATOM     11  S   LIG    1        0.722  -2.162   0.878  0.00  0.00    -0.075 S 
BRANCH  11  12
ATOM     12  C   LIG    1        2.253  -1.167   0.818  0.00  0.00    +0.141 C 
ATOM     13  C   LIG    1        2.414  -0.467  -0.530  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1        2.215  -1.020  -1.612  0.00  0.00    -0.274 OA
ATOM     15  N   LIG    1        2.909   0.815  -0.496  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.002   1.269  -1.394  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        3.563   1.420   0.545  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        4.186   2.466   0.384  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        3.572   0.674   1.857  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        2.339  -0.202   2.001  0.00  0.00    +0.033 C 
ENDBRANCH  11  12
ENDBRANCH  10  11
TORSDOF 2