REMARK  Name = BDB001826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.053  -2.003   1.900  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1       -0.893  -1.742   0.811  0.00  0.00    +0.243 A 
ATOM      3  N   LIG    1       -1.008  -2.556  -0.266  0.00  0.00    -0.219 NA
ATOM      4  C   LIG    1       -0.234  -3.663  -0.271  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1        0.641  -3.998   0.751  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        0.730  -3.153   1.855  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.029  -1.105   3.013  0.00  0.00    -0.211 N 
ATOM      8  H   LIG    1       -0.787  -0.508   3.155  0.00  0.00    +0.174 HD
BRANCH   7   9
ATOM      9  S   LIG    1        1.457  -0.225   3.229  0.00  0.00    +0.072 S 
ATOM     10  O   LIG    1        1.170   0.767   4.243  0.00  0.00    -0.150 OA
ATOM     11  O   LIG    1        2.564  -1.147   3.372  0.00  0.00    -0.150 OA
BRANCH   9  16
ATOM     12  C   LIG    1        2.132   2.746  -2.024  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        1.987   2.023  -0.716  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1        2.674   0.822  -0.492  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.515   0.130   0.710  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1        1.648   0.632   1.683  0.00  0.00    +0.109 A 
ATOM     17  C   LIG    1        0.959   1.830   1.475  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        1.122   2.516   0.271  0.00  0.00    +0.005 A 
ENDBRANCH   9  16
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  O   LIG    1       -1.687  -0.601   0.902  0.00  0.00    -0.436 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.173  -0.058  -0.263  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1       -3.521   0.309  -0.273  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1       -4.066   0.928  -1.400  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -3.257   1.191  -2.505  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -3.928   1.958  -3.891  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.907   0.845  -2.491  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -1.362   0.226  -1.365  0.00  0.00    +0.048 A 
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 5