REMARK  Name = BDB030301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.766  -0.487   1.024  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.685  -1.505   0.754  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.958  -1.170   0.295  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        3.878  -2.203   0.014  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        3.615  -3.169   0.155  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.168  -2.007  -0.444  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.569  -0.619  -0.644  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.688   0.414  -0.376  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        5.374   1.940  -0.684  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.858   1.244  -1.178  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.829  -0.132  -1.109  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        5.912  -2.956  -0.667  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.329   0.181   0.114  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.406   1.190   0.414  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        1.129   0.857   0.876  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  22
ATOM     16  C   LIG    1       -6.430   1.526  -0.151  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1       -5.289   1.056  -1.017  0.00  0.00    +0.213 C 
ATOM     18  N   LIG    1       -4.194   0.507  -0.371  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1       -3.043   0.072  -1.166  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1       -1.714   0.268  -0.424  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1       -1.705  -0.350   0.912  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1       -0.572  -0.863   1.534  0.00  0.00    +0.247 C 
ATOM     23  O   LIG    1       -0.619  -1.627   2.496  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1       -3.010  -0.685   1.487  0.00  0.00    +0.127 C 
ATOM     25  C   LIG    1       -4.108   0.305   1.081  0.00  0.00    +0.126 C 
ATOM     26  O   LIG    1       -5.351   1.160  -2.242  0.00  0.00    -0.276 OA
ENDBRANCH   1  22
TORSDOF 1