REMARK  Name = BDB033397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.011  -0.974  -3.162  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.493  -1.088  -4.056  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.979   2.105   0.724  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.222   1.250  -0.259  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.488   0.093   0.119  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.813  -0.629  -0.871  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.214  -1.710  -0.260  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.684  -2.416  -0.756  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.435  -1.676   1.088  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.813  -0.253  -2.218  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.528   0.885  -2.581  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.221  -0.576   1.355  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.222   1.619  -1.621  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.663  -0.205   2.664  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.009   0.099   3.729  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.484  -0.212  -3.549  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        1.282  -1.219  -4.220  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.169   1.033  -4.220  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.334   0.206  -2.037  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.184  -1.043  -1.234  0.00  0.00    -0.047 S 
ATOM     21  C   LIG    1        2.522   0.032   0.067  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        1.976   1.271  -0.223  0.00  0.00    +0.129 A 
ATOM     23  N   LIG    1        1.295   1.373  -1.420  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.244  -0.416   1.259  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        2.791  -0.045   2.529  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        3.493  -0.484   3.640  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        4.599  -1.252   3.571  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        5.026  -1.594   2.339  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        4.392  -1.207   1.169  0.00  0.00    +0.029 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5