REMARK  Name = BDB033448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.285  -0.980  -1.479  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.840  -0.916  -0.196  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.774   0.056   0.179  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -2.084  -0.194   1.553  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -1.359  -1.292   1.964  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -2.186   1.018  -0.784  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -3.181   2.108  -0.487  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.619   0.948  -2.074  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1       -0.623  -1.727   0.898  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -0.001  -2.526   0.895  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -0.684  -0.028  -2.414  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.726  -1.946  -1.783  0.00  0.00    -0.211 N 
ATOM     13  H   LIG    1        0.616  -2.330  -2.724  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.334  -1.374  -1.692  0.00  0.00    +0.107 S 
ATOM     15  O   LIG    1        2.469  -0.229  -2.565  0.00  0.00    -0.147 OA
ATOM     16  O   LIG    1        3.183  -2.536  -1.845  0.00  0.00    -0.147 OA
BRANCH  14  20
ATOM     17  C   LIG    1        2.054   1.606   2.525  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        2.520   0.445   1.742  0.00  0.00    +0.195 A 
ATOM     19  O   LIG    1        2.087   0.373   0.451  0.00  0.00    -0.422 OA
ATOM     20  C   LIG    1        2.641  -0.791  -0.050  0.00  0.00    +0.281 A 
ATOM     21  C   LIG    1        3.387  -1.324   0.986  0.00  0.00    +0.182 A 
ATOM     22  N   LIG    1        3.292  -0.552   2.115  0.00  0.00    -0.220 NA
ENDBRANCH  14  20
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  C   LIG    1       -2.975   0.541   2.396  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.695   1.141   3.082  0.00  0.00    -0.191 NA
ENDBRANCH   4  23
TORSDOF 4