REMARK  Name = BDB059213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.775  -1.013  -2.034  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.584  -0.797  -1.456  0.00  0.00    +0.078 C 
ATOM      3  C   LIG    1       -0.618  -0.444  -2.256  0.00  0.00    +0.259 C 
ATOM      4  O   LIG    1       -0.594  -0.308  -3.472  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -1.724  -0.296  -1.436  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -2.992   0.047  -2.047  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -1.510  -0.488  -0.092  0.00  0.00    +0.168 C 
ATOM      8  N   LIG    1       -2.280  -0.424   0.942  0.00  0.00    -0.225 NA
ATOM      9  S   LIG    1        0.175  -0.898   0.204  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        4.800  -0.917   0.236  0.00  0.00    +0.164 A 
ATOM     11  C   LIG    1        5.421  -2.118  -0.132  0.00  0.00    +0.177 A 
ATOM     12  C   LIG    1        4.854  -2.949  -1.098  0.00  0.00    +0.087 A 
ATOM     13 CL   LIG    1        5.601  -4.432  -1.566  0.00  0.00    -0.080 Cl
ATOM     14  C   LIG    1        3.655  -2.582  -1.709  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        3.021  -1.386  -1.352  0.00  0.00    -0.019 A 
ATOM     16  C   LIG    1        3.607  -0.548  -0.389  0.00  0.00    +0.057 A 
BRANCH  11  17
ATOM     17  O   LIG    1        6.602  -2.465   0.477  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1        6.800  -1.737   1.097  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
BRANCH  10  19
ATOM     19  O   LIG    1        5.468  -0.195   1.192  0.00  0.00    -0.489 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.107   2.199   1.097  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        4.795   0.899   1.817  0.00  0.00    +0.226 C 
ENDBRANCH  19  21
ENDBRANCH  10  19
ENDBRANCH   1  15
BRANCH   8  22
ATOM     22  C   LIG    1       -3.634  -0.111   0.898  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -4.056   1.214   1.016  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -5.425   1.533   1.027  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1       -6.375   0.508   0.943  0.00  0.00    +0.055 A 
ATOM     26 CL   LIG    1       -8.076   0.794   0.891  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -5.950  -0.822   0.859  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.587  -1.129   0.849  0.00  0.00    +0.029 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.819   2.951   1.157  0.00  0.00    +0.338 C 
ATOM     30  O   LIG    1       -6.754   3.409   1.780  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.986   3.748   0.459  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -5.351   4.648   0.605  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH   8  22
TORSDOF 7