REMARK  Name = BDB020819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.511  -0.705   0.092  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.405  -0.956  -0.986  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        2.684  -1.345  -0.666  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        3.296  -1.588  -1.861  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.476  -1.310  -2.850  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.132  -1.488   0.652  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.299  -1.296   1.643  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.282  -0.906  -2.298  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.013  -0.902   1.332  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.709   0.257  -0.202  0.00  0.00    +0.080 C 
ATOM     11  C   LIG    1       -3.084  -0.572  -1.323  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -1.779  -1.224  -0.857  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -0.879  -0.281  -0.086  0.00  0.00    -0.039 C 
ATOM     14  C   LIG    1       -1.324   0.896   0.393  0.00  0.00    -0.021 C 
ATOM     15  C   LIG    1       -2.742   1.368   0.242  0.00  0.00    +0.047 C 
BRANCH  10  16
ATOM     16  N   LIG    1       -4.963   0.879  -0.670  0.00  0.00    -0.191 NA
ATOM     17  H   LIG    1       -4.938   1.363  -1.570  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -6.832   0.646   1.231  0.00  0.00    +0.214 C 
ATOM     19  S   LIG    1       -6.420   0.092  -0.409  0.00  0.00    +0.027 S 
ATOM     20  O   LIG    1       -6.178  -1.331  -0.380  0.00  0.00    -0.158 OA
ATOM     21  O   LIG    1       -7.359   0.689  -1.333  0.00  0.00    -0.158 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1        4.428  -1.853   0.955  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        4.464  -1.980   1.965  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.559  -1.013   0.557  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.409   0.438   0.853  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        4.896   1.207  -0.150  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        4.820   2.477   0.323  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1        5.278   2.535   1.618  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.659   1.215   1.964  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6