REMARK  Name = BDB034819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.926  -0.427   0.428  0.00  0.00    -0.305 N 
ATOM      2  H   LIG    1       -0.428   0.276   0.970  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.160  -1.156  -0.466  0.00  0.00    +0.270 C 
ATOM      4  O   LIG    1       -0.678  -1.942  -1.257  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.268  -0.871  -0.367  0.00  0.00    +0.164 A 
ATOM      6  S   LIG    1        2.404  -1.680  -1.353  0.00  0.00    -0.063 S 
ATOM      7  C   LIG    1        3.676  -0.784  -0.615  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        3.131   0.079   0.340  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1        4.000   0.914   1.071  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        5.377   0.867   0.832  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.897   0.000  -0.124  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.058  -0.839  -0.863  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1        1.753   0.024   0.475  0.00  0.00    -0.234 NA
ENDBRANCH   3   5
BRANCH   1  16
ATOM     14  N   LIG    1       -4.341   0.711  -0.289  0.00  0.00    -0.268 N 
ATOM     15  C   LIG    1       -3.023   0.214  -0.786  0.00  0.00    +0.138 C 
ATOM     16  C   LIG    1       -2.371  -0.482   0.421  0.00  0.00    +0.093 C 
ATOM     17  C   LIG    1       -2.987   0.244   1.606  0.00  0.00    +0.043 C 
ATOM     18  C   LIG    1       -4.430   0.434   1.167  0.00  0.00    +0.118 C 
BRANCH  14  20
ATOM     19  N   LIG    1       -6.312   1.162  -1.751  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1       -5.395   0.955  -1.076  0.00  0.00    +0.169 C 
ENDBRANCH  14  20
ENDBRANCH   1  16
TORSDOF 3