REMARK  Name = BDB032921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.073  -0.249  -0.081  0.00  0.00    +0.169 A 
ATOM      2  S   LIG    1        2.051   1.014   0.569  0.00  0.00    -0.028 S 
ATOM      3  C   LIG    1        3.422   0.311  -0.139  0.00  0.00    +0.185 A 
ATOM      4  C   LIG    1        3.086  -0.824  -0.828  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1        1.740  -1.132  -0.792  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1   8
ATOM      6  O   LIG    1       -0.590  -2.413  -0.722  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.031  -1.379  -0.228  0.00  0.00    +0.221 C 
ATOM      8  N   LIG    1       -0.303  -0.243   0.173  0.00  0.00    -0.250 N 
ATOM      9  C   LIG    1       -1.027   0.786   0.916  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -2.281   1.235   0.171  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -3.070   0.063  -0.406  0.00  0.00    +0.011 C 
ATOM     12  C   LIG    1       -2.523  -1.278   0.053  0.00  0.00    +0.096 C 
ENDBRANCH   1   8
BRANCH   3  13
ATOM     13  N   LIG    1        4.722   0.880   0.003  0.00  0.00    +0.065 N 
ATOM     14  O   LIG    1        5.649   0.284  -0.561  0.00  0.00    -0.126 OA
ATOM     15  O   LIG    1        4.836   1.917   0.670  0.00  0.00    -0.126 OA
ENDBRANCH   3  13
TORSDOF 2