REMARK  Name = BDB033431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.143   3.508  -0.106  0.00  0.00    +0.096 S 
ATOM      2  O   LIG    1        2.442   3.732   0.492  0.00  0.00    -0.148 OA
ATOM      3  O   LIG    1        0.352   4.615  -0.606  0.00  0.00    -0.148 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.118   2.732   1.126  0.00  0.00    +0.236 A 
ATOM      5  S   LIG    1        0.140   3.379   2.705  0.00  0.00    -0.055 S 
ATOM      6  C   LIG    1       -0.999   2.190   3.185  0.00  0.00    +0.081 A 
ATOM      7  C   LIG    1       -1.359   1.393   2.109  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -0.700   1.715   0.918  0.00  0.00    -0.216 NA
BRANCH   7   9
ATOM      9  C   LIG    1       -2.282   0.249   2.233  0.00  0.00    +0.266 C 
ATOM     10  N   LIG    1       -2.812  -0.291   1.048  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -3.516  -1.564   1.181  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -3.582  -2.314  -0.146  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -4.152  -1.437  -1.256  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1       -3.381  -0.124  -1.352  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -3.336   0.586  -0.003  0.00  0.00    +0.108 C 
ATOM     16  O   LIG    1       -2.516  -0.244   3.335  0.00  0.00    -0.268 OA
ENDBRANCH   7   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  N   LIG    1        1.319   2.441  -1.433  0.00  0.00    -0.212 N 
ATOM     18  H   LIG    1        1.502   3.024  -2.251  0.00  0.00    +0.174 HD
BRANCH  17  26
ATOM     19  C   LIG    1        5.281  -1.716  -0.760  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.206  -0.673  -0.919  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        2.844  -0.901  -0.584  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        1.919   0.137  -0.761  0.00  0.00    +0.071 A 
ATOM     23  N   LIG    1        0.689  -0.341  -0.366  0.00  0.00    -0.358 N 
ATOM     24  H   LIG    1       -0.155   0.223  -0.342  0.00  0.00    +0.165 HD
ATOM     25  C   LIG    1        0.791  -1.633   0.066  0.00  0.00    +0.102 A 
ATOM     26  C   LIG    1        2.276   1.390  -1.272  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1        3.618   1.609  -1.581  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        2.109  -2.013  -0.062  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1        4.562   0.600  -1.411  0.00  0.00    +0.006 A 
BRANCH  28  30
ATOM     30  C   LIG    1        2.608  -3.307   0.288  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        3.014  -4.358   0.568  0.00  0.00    -0.191 NA
ENDBRANCH  28  30
ENDBRANCH  17  26
ENDBRANCH   1  17
TORSDOF 5