REMARK  Name = BDB050304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.326  -1.742  -0.246  0.00  0.00    -0.050 S 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.449  -0.205   0.464  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -4.791   0.277   1.592  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -3.416   0.057   1.757  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.714  -0.654   0.754  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1       -1.336  -0.856   0.950  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -0.685  -0.385   2.103  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -1.392   0.313   3.074  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -3.364  -1.108  -0.347  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -2.753   0.535   2.900  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.691  -0.871  -0.478  0.00  0.00    +0.124 A 
BRANCH   2  15
ATOM     12  C   LIG    1       -9.032  -0.766  -0.602  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1       -7.599  -0.869  -0.478  0.00  0.00    -0.314 N 
ATOM     14  H   LIG    1       -7.180  -1.763  -0.695  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -6.901   0.036   0.297  0.00  0.00    +0.245 C 
ATOM     16  O   LIG    1       -7.426   0.987   0.866  0.00  0.00    -0.270 OA
ENDBRANCH   2  15
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  S   LIG    1       -0.070  -0.326  -1.720  0.00  0.00    -0.050 S 
BRANCH  17  18
ATOM     18  C   LIG    1        1.222   0.709  -1.018  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        2.577   0.333  -1.055  0.00  0.00    +0.085 A 
ATOM     20  C   LIG    1        3.516   1.222  -0.478  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.878   0.878  -0.497  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        5.287  -0.319  -1.081  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.308  -1.142  -1.605  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        3.099   2.429   0.107  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        1.754   2.782   0.123  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1        2.988  -0.833  -1.610  0.00  0.00    -0.253 NA
ATOM     27  C   LIG    1        0.818   1.926  -0.442  0.00  0.00    +0.018 A 
BRANCH  22  28
ATOM     28  C   LIG    1        6.699  -0.758  -1.141  0.00  0.00    +0.245 C 
ATOM     29  N   LIG    1        7.656   0.238  -1.126  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        7.375   1.188  -1.327  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        9.050  -0.092  -1.298  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        6.966  -1.951  -1.227  0.00  0.00    -0.270 OA
ENDBRANCH  22  28
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5