REMARK  Name = BDB003218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.304  -0.313  -0.513  0.00  0.00    +0.095 A 
ATOM      2  N   LIG    1       -2.159   0.047  -0.022  0.00  0.00    -0.163 NA
ATOM      3  N   LIG    1       -1.121  -0.110  -0.905  0.00  0.00    -0.187 N 
ATOM      4  C   LIG    1       -1.199  -0.592  -2.199  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1       -0.004  -0.600  -2.749  0.00  0.00    -0.127 NA
ATOM      6  N   LIG    1        0.889  -0.120  -1.815  0.00  0.00    -0.120 NA
ATOM      7  C   LIG    1       -2.468  -0.970  -2.682  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        0.214   0.164  -0.720  0.00  0.00    +0.217 A 
ATOM      9  C   LIG    1       -3.538  -0.849  -1.883  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.266   0.636   3.367  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -5.771   0.240   2.071  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1       -6.626  -0.235   1.150  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -5.842  -0.494   0.100  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1       -4.478  -0.191   0.333  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -4.482   0.286   1.634  0.00  0.00    +0.118 A 
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  S   LIG    1        0.824   0.823   0.762  0.00  0.00    -0.048 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.533   0.341   0.628  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        3.413   1.021  -0.218  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        4.767   0.647  -0.293  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.259  -0.413   0.498  0.00  0.00    +0.071 A 
ATOM     21  N   LIG    1        6.546  -0.800   0.463  0.00  0.00    -0.255 NA
ATOM     22  C   LIG    1        7.383  -0.144  -0.370  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        6.996   0.903  -1.185  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.371  -1.067   1.339  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        5.667   1.304  -1.144  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        3.022  -0.702   1.414  0.00  0.00    +0.017 A 
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 3