REMARK  Name = BDB057642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.543   0.738   0.579  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.658   0.798  -0.143  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.862   0.364   0.430  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.824  -0.097   1.757  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        3.002  -0.516   2.373  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        2.993  -0.852   3.327  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.224  -0.495   1.771  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        4.291   0.013   0.364  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.699   0.042  -0.171  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        5.907   1.067  -1.652  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        4.434   0.506  -2.532  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        3.172   0.833  -1.736  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        5.222  -0.892   2.365  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.633  -0.136   2.490  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.164   0.386  -0.287  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -0.555   0.289   1.901  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1       -1.751   2.346  -0.578  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -1.782   1.229  -0.068  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -2.915   0.416  -0.068  0.00  0.00    -0.298 N 
ATOM     20  C   LIG    1       -2.899  -1.025   0.203  0.00  0.00    +0.108 C 
ATOM     21  C   LIG    1       -3.906  -1.777  -0.661  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -5.330  -1.254  -0.473  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -5.378   0.230  -0.105  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.152   0.982  -0.604  0.00  0.00    +0.108 C 
ENDBRANCH   1  18
TORSDOF 1