REMARK  Name = BDB009571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.369   0.615  -0.623  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.740  -0.150   0.021  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.753  -0.751  -1.022  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.882   0.091  -2.303  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -1.425   1.525  -2.080  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.042   1.499  -1.672  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        0.861   2.247  -2.203  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.323  -1.266   0.982  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.669  -1.181   2.342  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.346  -2.212   3.230  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.317  -3.344   2.766  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.709  -4.613   3.859  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.655  -3.458   1.421  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.329  -2.429   0.533  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -3.116  -1.029  -0.386  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.506  -2.357  -0.142  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.734  -2.638   0.458  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.188  -4.271   0.750  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.593  -1.606   0.824  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -5.219  -0.284   0.591  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.990   0.004  -0.008  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.640   0.947   0.088  0.00  0.00    +0.078 C 
BRANCH  22  24
ATOM     23  C   LIG    1        0.689   3.018   1.266  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        1.428   1.694   1.423  0.00  0.00    +0.019 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        2.596  -0.250   0.225  0.00  0.00    +0.045 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.065   0.171   0.217  0.00  0.00    +0.167 C 
BRANCH  26  27
ATOM     27  S   LIG    1        5.135  -1.247   0.411  0.00  0.00    -0.034 S 
ATOM     28  O   LIG    1        4.988  -1.735   1.769  0.00  0.00    -0.175 OA
ATOM     29  O   LIG    1        4.935  -2.126  -0.725  0.00  0.00    -0.175 OA
ATOM     30  C   LIG    1        6.758  -0.542   0.267  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  31
ATOM     31  C   LIG    1       -1.632   2.358  -3.353  0.00  0.00    +0.133 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.405   3.836  -3.167  0.00  0.00    +0.305 C 
ATOM     33  O   LIG    1       -1.105   4.623  -4.050  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.663   4.285  -1.925  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -1.463   5.244  -1.991  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 10