REMARK  Name = BDB033403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.631   2.822  -0.092  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.707   1.681  -0.433  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1        1.856   0.372   0.100  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        0.942  -0.625  -0.274  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        1.308  -1.778   0.390  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        0.768  -2.639   0.370  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1        2.418  -1.561   1.157  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.122  -0.381  -1.155  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -0.232   0.899  -1.698  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        2.785  -0.243   0.999  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1        0.652   1.912  -1.337  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1       -1.010  -1.377  -1.660  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1       -0.564  -2.021  -2.314  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -1.988  -2.238  -0.588  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1       -2.931  -2.969  -1.408  0.00  0.00    -0.149 OA
ATOM     16  O   LIG    1       -1.135  -2.945   0.345  0.00  0.00    -0.149 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.969  -1.106   0.332  0.00  0.00    +0.165 A 
ATOM     18  S   LIG    1       -2.300  -0.404   1.744  0.00  0.00    -0.055 S 
ATOM     19  C   LIG    1       -3.752   0.478   1.973  0.00  0.00    +0.157 A 
ATOM     20  N   LIG    1       -4.695   0.288   1.077  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1       -4.247  -0.625   0.139  0.00  0.00    +0.147 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  22
ATOM     22  C   LIG    1        3.905   0.361   1.651  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        4.814   0.855   2.178  0.00  0.00    -0.191 NA
ENDBRANCH  10  22
TORSDOF 4