REMARK  Name = BDB023190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.011   0.292  -1.428  0.00  0.00    -0.178 N 
ATOM      2  H   LIG    1       -0.586   1.116  -1.013  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.354  -0.936  -1.302  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.856  -2.009  -1.607  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.983  -0.788  -0.768  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.444   0.462  -0.434  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.711   0.311   0.042  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.077  -1.026   0.022  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.355  -1.356   0.488  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.212  -0.350   0.945  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.823   0.998   0.943  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.768  -2.631   0.503  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.536   1.342   0.490  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.961  -1.729  -0.500  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.699   1.997   1.421  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.134   1.945   1.466  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.096   3.460   1.692  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        5.694   3.393   1.080  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.653   0.418  -1.649  0.00  0.00    +0.092 S 
ATOM     20  O   LIG    1       -2.975   1.816  -1.437  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1       -2.983  -0.240  -2.896  0.00  0.00    -0.148 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.684  -0.982  -0.290  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.373  -0.497  -0.275  0.00  0.00    +0.200 A 
ATOM     24  N   LIG    1       -2.482  -0.662   0.754  0.00  0.00    -0.235 NA
ATOM     25  C   LIG    1       -2.909  -1.379   1.809  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -4.173  -1.934   1.891  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.060  -1.733   0.835  0.00  0.00    +0.009 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -7.037  -0.265  -0.931  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -5.665  -0.745  -1.423  0.00  0.00    +0.016 C 
ATOM     30  C   LIG    1       -5.817  -2.005  -2.279  0.00  0.00    +0.012 C 
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5