REMARK  Name = BDB033450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.313  -1.925   2.423  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1        2.075  -2.563   2.654  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        3.156   2.454  -0.864  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        2.667   1.266  -0.077  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        2.487  -0.025  -0.646  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        2.018  -1.069   0.167  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1        1.931  -2.192  -0.632  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        1.550  -3.081  -0.320  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1        2.326  -1.907  -1.909  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1        1.706  -0.889   1.522  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        1.926   0.374   2.073  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        2.678  -0.577  -1.952  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1        2.383   1.431   1.292  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1        3.140   0.093  -3.128  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1        3.514   0.641  -4.081  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1       -0.084  -2.813   2.075  0.00  0.00    +0.107 S 
ATOM     17  O   LIG    1        0.165  -3.583   0.873  0.00  0.00    -0.147 OA
ATOM     18  O   LIG    1       -0.482  -3.468   3.302  0.00  0.00    -0.147 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -1.393  -1.692   1.682  0.00  0.00    +0.281 A 
ATOM     20  O   LIG    1       -1.373  -0.896   0.552  0.00  0.00    -0.421 OA
ATOM     21  C   LIG    1       -2.520  -0.157   0.611  0.00  0.00    +0.203 A 
ATOM     22  N   LIG    1       -3.273  -0.417   1.660  0.00  0.00    -0.219 NA
ATOM     23  C   LIG    1       -2.571  -1.382   2.334  0.00  0.00    +0.182 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.745   0.826  -0.507  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -4.037   1.624  -0.261  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -2.872   0.072  -1.841  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -1.563   1.808  -0.583  0.00  0.00    +0.020 C 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5