REMARK  Name = BDB055527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.071  -0.575   0.509  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -0.069   0.714  -0.204  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1        0.457   0.478  -1.629  0.00  0.00    +0.078 C 
ATOM      4  S   LIG    1       -0.358   0.751  -3.070  0.00  0.00    -0.038 S 
ATOM      5  N   LIG    1        1.765   0.070  -1.767  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1        2.098   0.118  -2.726  0.00  0.00    +0.152 HD
ATOM      7  C   LIG    1        2.719  -0.167  -0.756  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.438  -0.593   0.553  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        3.501  -0.738   1.463  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        4.816  -0.478   1.080  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.105  -0.097  -0.227  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1        4.059   0.047  -1.140  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.115  -1.094   1.023  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        1.123  -2.006   1.851  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  15
ATOM     15  C   LIG    1       -1.238   1.667   0.054  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1       -2.477   1.601  -0.597  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -3.512   2.493  -0.291  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -3.324   3.472   0.677  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -4.597   4.564   1.056  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -2.108   3.567   1.341  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.078   2.673   1.033  0.00  0.00    +0.007 A 
ENDBRANCH   2  15
BRANCH  11  22
ATOM     22  O   LIG    1        6.432   0.107  -0.481  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1        6.796   0.456  -1.811  0.00  0.00    +0.277 C 
ENDBRANCH  11  22
BRANCH   1  24
ATOM     24  C   LIG    1       -1.326  -1.305   0.855  0.00  0.00    +0.216 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.084  -1.800  -0.382  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -3.455  -1.590  -0.600  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.089  -2.091  -1.742  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -3.365  -2.824  -2.677  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -4.148  -3.437  -4.080  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -2.012  -3.068  -2.476  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -1.380  -2.567  -1.335  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  C   LIG    1       -2.129  -0.711   2.037  0.00  0.00    +0.332 C 
ATOM     33  O   LIG    1       -3.283  -1.007   2.333  0.00  0.00    -0.248 OA
BRANCH  32  35
ATOM     34  C   LIG    1       -2.004   0.626   3.965  0.00  0.00    +0.280 C 
ATOM     35  O   LIG    1       -1.348   0.111   2.806  0.00  0.00    -0.466 OA
ENDBRANCH  32  35
ENDBRANCH  24  32
ENDBRANCH   1  24
TORSDOF 6