REMARK  Name = BDB032681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.224  -0.538  -0.036  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1       -1.251  -1.727   0.750  0.00  0.00    -0.029 S 
ATOM      3  C   LIG    1        0.102  -0.950   0.070  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1       -0.172   0.039  -0.746  0.00  0.00    -0.124 NA
ATOM      5  N   LIG    1       -1.532   0.276  -0.814  0.00  0.00    -0.139 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -4.355  -0.612   1.323  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1       -3.684  -0.525   0.092  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.458  -0.384  -1.073  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -5.855  -0.379  -1.015  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -6.501  -0.511   0.211  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.753  -0.631   1.381  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -3.468   0.568   3.085  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.672  -0.725   2.508  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   3  14
ATOM     14  N   LIG    1        1.462  -1.410   0.282  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1        1.497  -2.370   0.624  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        2.304  -0.435   1.364  0.00  0.00    +0.048 S 
ATOM     17  O   LIG    1        1.435   0.582   1.916  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        2.971  -1.370   2.248  0.00  0.00    -0.155 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.547   0.343   0.332  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1        4.524  -0.679  -0.270  0.00  0.00    +0.043 C 
ATOM     21  C   LIG    1        5.059  -0.239  -1.633  0.00  0.00    +0.083 C 
ATOM     22  N   LIG    1        5.284   1.199  -1.646  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1        5.769   1.477  -2.500  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        4.041   1.964  -1.519  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        2.941   1.230  -0.750  0.00  0.00    +0.043 C 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   3  14
TORSDOF 5