REMARK  Name = BDB030316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.321  -0.702   0.776  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.353  -0.072   1.478  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.609   0.042   0.883  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -3.645   0.688   1.590  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -3.476   1.052   2.518  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.931   0.867   1.115  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -5.197   0.340  -0.218  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -4.201  -0.300  -0.934  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -4.742  -0.827  -2.459  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -6.315  -0.211  -2.184  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.425   0.388  -0.948  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -5.781   1.441   1.789  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.847  -0.481  -0.408  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -1.810  -1.133  -1.085  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.550  -1.251  -0.490  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  20
ATOM     16  C   LIG    1        4.444   0.192  -0.771  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1        4.589  -0.636   0.513  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1        3.409  -0.482   1.473  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1        2.132  -0.347   0.784  0.00  0.00    -0.297 N 
ATOM     20  C   LIG    1        0.997  -0.840   1.434  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        1.020  -1.381   2.537  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        2.050   0.673  -0.267  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        3.402   1.296  -0.613  0.00  0.00    +0.037 C 
BRANCH  16  24
ATOM     24  N   LIG    1        5.728   0.752  -1.195  0.00  0.00    -0.327 NA
ATOM     25  H   LIG    1        6.414   0.004  -1.289  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1        6.092   1.378  -0.477  0.00  0.00    +0.118 HD
ENDBRANCH  16  24
ENDBRANCH   1  20
TORSDOF 2