REMARK  Name = BDB057648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.099  -1.159  -0.787  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.120  -0.703   0.064  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.418  -0.467  -0.418  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.667  -0.729  -1.772  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -4.947  -0.533  -2.288  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -5.144  -0.715  -3.263  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -6.007  -0.107  -1.546  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.769   0.160  -0.092  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -7.024   0.570   0.631  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -6.912   0.442   2.437  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.278   1.185   2.621  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.223   0.361   1.885  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -7.108   0.059  -2.064  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.664  -1.198  -2.626  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -4.530   0.027   0.438  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.378  -1.416  -2.133  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        0.371  -1.624   0.991  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        0.254  -1.383  -0.204  0.00  0.00    +0.244 C 
ATOM     19  N   LIG    1        1.323  -1.261  -1.067  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.181  -0.859  -1.982  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.694  -1.393  -0.597  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.193  -0.127   0.128  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.608  -0.190   0.536  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1        5.517  -0.287  -0.628  0.00  0.00    +0.099 C 
ATOM     25  C   LIG    1        6.934   0.249  -0.336  0.00  0.00    +0.096 C 
ATOM     26  N   LIG    1        6.956   1.683   0.002  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1        7.753   1.852   0.616  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.716   2.094   0.681  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1        4.971   0.951   1.403  0.00  0.00    +0.099 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  18
TORSDOF 4