REMARK  Name = BDB060984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.929   0.152  -1.401  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.205   0.336  -0.187  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        2.413  -0.730   0.333  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        1.663  -0.487   1.523  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        1.729   0.741   2.197  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.525   1.759   1.702  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        2.436  -1.962  -0.370  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        3.200  -2.149  -1.520  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        3.246   1.558   0.527  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.953  -1.101  -2.021  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        4.819   1.121  -1.923  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1        5.760   0.958  -1.568  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1        4.535   2.073  -1.722  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  S   LIG    1        0.568  -1.714   2.225  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1       -0.071  -1.144   3.392  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        1.271  -2.974   2.301  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1       -0.622  -1.879   1.052  0.00  0.00    -0.190 NA
ATOM     18  H   LIG    1       -0.455  -2.624   0.380  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.380  -0.698   0.624  0.00  0.00    +0.110 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.772  -1.128   0.157  0.00  0.00    +0.052 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.586   0.048  -0.320  0.00  0.00    -0.046 A 
ATOM     22  C   LIG    1       -4.365   0.783   0.584  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -5.100   1.886   0.148  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.062   2.266  -1.192  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.287   1.544  -2.098  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.551   0.440  -1.665  0.00  0.00    +0.003 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   4  14
TORSDOF 6