REMARK  Name = BDB048456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.932  -1.060   1.296  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.010  -0.481   0.746  0.00  0.00    +0.276 C 
ATOM      3  C   LIG    1        0.172   0.714  -0.145  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1        1.291   1.360  -0.505  0.00  0.00    +0.028 C 
ATOM      5  S   LIG    1       -1.392   1.220  -0.679  0.00  0.00    -0.052 S 
ATOM      6  C   LIG    1       -2.123  -0.090   0.213  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -1.312  -0.851   0.869  0.00  0.00    -0.154 NA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.669   1.037  -0.121  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        3.253  -0.197  -0.420  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        4.593  -0.460  -0.077  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.374   0.528   0.557  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1        6.660   0.324   0.895  0.00  0.00    -0.255 NA
ATOM     13  C   LIG    1        7.203  -0.881   0.618  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        6.520  -1.913   0.004  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.782   1.752   0.832  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        5.194  -1.697  -0.349  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        3.448   2.016   0.498  0.00  0.00    +0.010 A 
ENDBRANCH   4   8
BRANCH   6  18
ATOM     18  N   LIG    1       -3.467  -0.292   0.201  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1       -3.762  -0.986   0.882  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.465   0.718  -0.079  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.869   0.199   0.044  0.00  0.00    +0.007 A 
ATOM     22  S   LIG    1       -6.786   0.503   1.459  0.00  0.00    -0.100 S 
ATOM     23  C   LIG    1       -8.131  -0.358   0.850  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1       -7.890  -0.875  -0.403  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -6.582  -0.556  -0.869  0.00  0.00    +0.013 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4