REMARK  Name = BDB029473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.156   0.857   0.141  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.980   0.507   0.172  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.392   0.120   1.349  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.981   0.280   2.157  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.048   0.218   1.614  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.657   0.466   2.750  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.131  -0.011   0.428  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.676   0.368   0.750  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.096  -0.466  -0.166  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.646  -1.638  -0.592  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -1.990  -1.514   0.131  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.670   0.801  -0.762  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -4.121   0.454  -1.067  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        1.446  -0.343  -0.232  0.00  0.00    +0.162 A 
ATOM     15  S   LIG    1        2.444  -1.379  -1.192  0.00  0.00    -0.052 S 
ATOM     16  C   LIG    1        3.848  -0.523  -0.699  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        3.466   0.505   0.160  0.00  0.00    +0.080 A 
ATOM     18  C   LIG    1        4.462   1.349   0.693  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.804   1.142   0.355  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.161   0.108  -0.505  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.191  -0.741  -1.047  0.00  0.00    +0.017 A 
ATOM     22  N   LIG    1        2.109   0.596   0.407  0.00  0.00    -0.225 NA
ENDBRANCH   9  14
TORSDOF 1