REMARK  Name = BDB045550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.670  -0.420  -0.012  0.00  0.00    +0.085 C 
ATOM      2  C   LIG    1       -1.983  -0.332   0.765  0.00  0.00    +0.226 C 
ATOM      3  O   LIG    1       -2.000  -0.558   1.973  0.00  0.00    -0.284 OA
ATOM      4  C   LIG    1       -3.147   0.024  -0.035  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -3.061   0.225  -1.392  0.00  0.00    +0.090 A 
ATOM      6  S   LIG    1       -4.573   0.624  -2.052  0.00  0.00    -0.068 S 
ATOM      7  C   LIG    1       -5.265   0.503  -0.479  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -6.719   0.752  -0.284  0.00  0.00    +0.073 C 
ATOM      9  C   LIG    1       -1.850   0.109  -2.148  0.00  0.00    +0.197 C 
ATOM     10  O   LIG    1       -1.736   0.274  -3.358  0.00  0.00    -0.287 OA
ATOM     11  N   LIG    1       -4.426   0.186   0.486  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1       -0.648  -0.243  -1.347  0.00  0.00    +0.079 C 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.421  -0.771   0.776  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1        0.144  -0.983   1.742  0.00  0.00    +0.152 HD
BRANCH  13  19
ATOM     15  C   LIG    1        5.978   0.630   0.466  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        4.519   0.301   0.562  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        4.079  -0.754   1.365  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        2.720  -1.076   1.427  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.766  -0.360   0.689  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        2.219   0.680  -0.128  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.579   1.008  -0.193  0.00  0.00    +0.005 A 
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 2