REMARK  Name = BDB030290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.248   0.968  -0.187  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.413  -0.174   0.283  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.799  -0.270   0.140  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -2.457  -1.424   0.616  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -1.935  -2.165   1.065  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.820  -1.644   0.537  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -4.602  -0.587  -0.093  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -3.984   0.556  -0.567  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -5.092   1.646  -1.261  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -6.413   0.607  -0.936  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.014  -0.553  -0.309  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -4.318  -2.676   0.974  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.539   0.769  -0.467  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -1.869   1.912  -0.915  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.482   2.013  -0.769  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        2.168   2.234   0.201  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        1.722   1.123  -0.053  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1        2.453  -0.029  -0.271  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        1.956  -0.844  -0.606  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.855  -0.162  -0.170  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1        4.729   0.837   0.252  0.00  0.00    +0.134 A 
ATOM     22  N   LIG    1        6.076   0.679   0.349  0.00  0.00    -0.261 NA
ATOM     23  C   LIG    1        6.576  -0.525   0.009  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        5.795  -1.583  -0.422  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        4.417  -1.396  -0.510  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 2