REMARK  Name = BDB030304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.583  -0.793  -0.535  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.631  -0.805  -1.463  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.843  -0.193  -1.144  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        3.888  -0.206  -2.093  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        3.755  -0.660  -2.987  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.133   0.362  -1.901  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.345   1.015  -0.614  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.339   1.042   0.334  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        4.812   1.857   1.751  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.369   2.183   1.119  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.524   1.679  -0.154  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        5.995   0.311  -2.774  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.028   0.430   0.108  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.982   0.420   1.037  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.765  -0.194   0.719  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -1.835  -0.861  -0.401  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1       -1.712   0.027   0.077  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -0.698  -1.458  -0.910  0.00  0.00    +0.248 C 
ATOM     19  O   LIG    1       -0.644  -2.433  -1.650  0.00  0.00    -0.270 OA
BRANCH  16  21
ATOM     20  C   LIG    1       -4.233  -0.463  -0.026  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1       -3.185  -1.271  -0.532  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -3.520  -2.485  -1.151  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -4.851  -2.894  -1.280  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.877  -2.097  -0.791  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.569  -0.890  -0.168  0.00  0.00    +0.017 A 
BRANCH  20  26
ATOM     26  C   LIG    1       -4.063   0.857   0.662  0.00  0.00    +0.341 C 
ATOM     27  O   LIG    1       -5.002   1.566   0.991  0.00  0.00    -0.245 OA
BRANCH  26  29
ATOM     28  C   LIG    1       -2.557   2.413   1.544  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1       -2.756   1.159   0.884  0.00  0.00    -0.464 OA
ENDBRANCH  26  29
ENDBRANCH  20  26
ENDBRANCH  16  21
ENDBRANCH   1  18
TORSDOF 4