REMARK  Name = BDB023382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.863   0.822   0.366  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.523   0.588  -0.040  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -1.120  -0.718  -0.307  0.00  0.00    +0.138 A 
ATOM      4  O   LIG    1        0.191  -0.762  -0.670  0.00  0.00    -0.450 OA
ATOM      5  C   LIG    1        0.665   0.521  -0.635  0.00  0.00    +0.192 A 
ATOM      6  C   LIG    1       -1.939  -1.839  -0.214  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -3.270  -1.647   0.166  0.00  0.00    -0.039 A 
ATOM      8  C   LIG    1       -0.350   1.373  -0.246  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -3.691  -0.334   0.451  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.047   0.780  -0.970  0.00  0.00    +0.298 C 
ATOM     11  N   LIG    1        2.728  -0.385  -1.326  0.00  0.00    -0.179 N 
ATOM     12  H   LIG    1        2.238  -1.275  -1.309  0.00  0.00    +0.177 HD
ATOM     13  O   LIG    1        2.567   1.885  -0.928  0.00  0.00    -0.265 OA
BRANCH  11  14
ATOM     14  S   LIG    1        4.301  -0.462  -1.815  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        4.566  -1.866  -2.056  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        4.532   0.520  -2.849  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        5.199   0.003  -0.357  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        5.629   1.323  -0.197  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        6.354   1.676   0.941  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.656   0.713   1.904  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.239  -0.609   1.733  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.512  -0.970   0.599  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  11  14
ENDBRANCH   5  10
BRANCH   1  24
ATOM     23  C   LIG    1       -3.803   2.197   2.090  0.00  0.00    +0.129 C 
ATOM     24  N   LIG    1       -3.462   2.068   0.669  0.00  0.00    -0.335 N 
ATOM     25  C   LIG    1       -2.887   3.269   0.076  0.00  0.00    +0.129 C 
ENDBRANCH   1  24
BRANCH   7  26
ATOM     26  C   LIG    1       -4.221  -2.814   0.293  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -4.425  -3.756  -0.872  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -5.523  -2.816  -0.475  0.00  0.00    +0.009 C 
ENDBRANCH   7  26
TORSDOF 5