REMARK  Name = BDB050661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.911  -0.526  -0.558  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        0.758  -1.084  -1.125  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.339  -0.277  -1.450  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.297   1.093  -1.197  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.856   1.649  -0.633  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.954   0.848  -0.305  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.037  -1.436  -0.202  0.00  0.00    +0.194 C 
ATOM      8  O   LIG    1        2.776  -2.604   0.077  0.00  0.00    -0.287 OA
BRANCH   7  11
ATOM      9  C   LIG    1        4.515   0.042  -2.583  0.00  0.00    +0.052 C 
ATOM     10  C   LIG    1        5.020  -0.245  -1.205  0.00  0.00    -0.001 A 
ATOM     11  C   LIG    1        4.400  -0.908  -0.155  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        5.284  -1.062   0.983  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        6.513  -0.433   0.771  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        7.524  -0.429   1.752  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        7.293  -1.074   2.968  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.085  -1.711   3.207  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.083  -1.708   2.231  0.00  0.00    +0.010 A 
ATOM     18  S   LIG    1        6.587   0.287  -0.784  0.00  0.00    -0.093 S 
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  O   LIG    1       -1.294   1.994  -1.446  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.587   1.519  -1.810  0.00  0.00    +0.227 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.371   1.109  -0.560  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.794   0.702  -0.923  0.00  0.00    -0.073 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -5.647   0.281   0.290  0.00  0.00    +0.374 N 
ATOM     24  C   LIG    1       -5.809   1.425   1.288  0.00  0.00    -0.093 C 
ATOM     25  C   LIG    1       -7.040  -0.100  -0.227  0.00  0.00    -0.093 C 
ATOM     26  C   LIG    1       -5.058  -0.933   1.002  0.00  0.00    -0.093 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7