REMARK  Name = BDB057337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.082   0.711   0.015  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.235   1.775   0.277  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -0.864   1.469  -0.120  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.773   0.229  -0.771  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.455  -0.290  -1.276  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        1.608   0.495  -1.072  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.554   1.709  -0.408  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.342   2.197   0.073  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -2.321  -0.526  -0.836  0.00  0.00    -0.072 S 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.629  -1.042   0.502  0.00  0.00    +0.129 C 
ATOM     11  N   LIG    1       -6.551  -0.096   0.645  0.00  0.00    -0.302 N 
ATOM     12  H   LIG    1       -6.793   0.882   0.585  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1       -5.284  -0.427   0.192  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1       -4.426   0.640   0.353  0.00  0.00    -0.263 N 
ATOM     15  H   LIG    1       -4.760   1.400   0.940  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1       -5.029  -1.532  -0.268  0.00  0.00    -0.253 OA
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1       -2.739   2.995   0.905  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -3.765   3.029   1.581  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1       -2.074   4.153   0.620  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -1.480   4.214  -0.194  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1       -2.528   5.004   0.927  0.00  0.00    +0.145 HD
ENDBRANCH   2  17
BRANCH   5  22
ATOM     22  C   LIG    1        0.579  -1.636  -1.982  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        1.108  -1.481  -3.411  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        1.442  -2.613  -1.178  0.00  0.00    +0.012 C 
ENDBRANCH   5  22
BRANCH   7  25
ATOM     25  N   LIG    1        2.779   2.402  -0.159  0.00  0.00    -0.216 N 
ATOM     26  H   LIG    1        2.710   3.410  -0.299  0.00  0.00    +0.174 HD
BRANCH  25  27
ATOM     27  S   LIG    1        3.459   2.167   1.389  0.00  0.00    +0.079 S 
ATOM     28  O   LIG    1        4.768   2.784   1.342  0.00  0.00    -0.149 OA
ATOM     29  O   LIG    1        2.484   2.580   2.375  0.00  0.00    -0.149 OA
BRANCH  27  30
ATOM     30  C   LIG    1        3.777   0.431   1.609  0.00  0.00    +0.146 A 
ATOM     31  S   LIG    1        2.594  -0.486   2.432  0.00  0.00    -0.076 S 
ATOM     32  C   LIG    1        3.485  -1.931   2.237  0.00  0.00    +0.050 A 
ATOM     33  C   LIG    1        4.676  -1.740   1.564  0.00  0.00    -0.042 A 
ATOM     34  C   LIG    1        5.660  -2.813   1.245  0.00  0.00    +0.044 C 
ATOM     35  C   LIG    1        4.835  -0.362   1.204  0.00  0.00    +0.040 A 
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 6