REMARK  Name = BDB033493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.346  -0.280   2.104  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -1.855  -0.247   2.987  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.153  -0.632   0.979  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -1.886  -0.134  -0.303  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.649  -0.482  -1.423  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.102   0.222  -2.534  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -1.036   0.967  -2.079  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -3.719  -1.384  -1.253  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.971  -1.896   0.019  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -4.982  -2.760   0.183  0.00  0.00    -0.205 F 
ATOM     11  N   LIG    1       -0.917   0.747  -0.732  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -0.191   1.125  -0.128  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -3.205  -1.538   1.121  0.00  0.00    +0.065 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -2.550   0.178  -3.891  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -2.914   0.142  -4.993  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        0.042  -1.230   2.368  0.00  0.00    +0.091 S 
ATOM     17  O   LIG    1        0.484  -0.940   3.716  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1       -0.207  -2.589   1.934  0.00  0.00    -0.148 OA
BRANCH  16  23
ATOM     19  C   LIG    1        2.564   0.638   0.149  0.00  0.00    +0.109 A 
ATOM     20  N   LIG    1        3.248  -0.546   0.285  0.00  0.00    -0.347 N 
ATOM     21  H   LIG    1        4.157  -0.751  -0.109  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        2.494  -1.385   1.056  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1        1.356  -0.670   1.366  0.00  0.00    +0.215 A 
ATOM     24  N   LIG    1        1.408   0.593   0.784  0.00  0.00    -0.213 NA
BRANCH  19  26
ATOM     25  C   LIG    1        3.874   2.749   0.271  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        3.109   1.789  -0.625  0.00  0.00    +0.071 C 
ENDBRANCH  19  26
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 5