REMARK  Name = BDB033421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.280  -1.356  -2.583  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.312  -2.300  -2.204  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -4.396   2.681   0.133  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.568   1.602  -0.516  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.971   0.535   0.210  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -2.215  -0.421  -0.483  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -1.726  -1.308   0.452  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.071  -2.054   0.244  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -2.163  -0.977   1.704  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -2.041  -0.380  -1.873  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.608   0.686  -2.569  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.937   0.157   1.590  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -3.358   1.654  -1.908  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.563   0.814   2.695  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -4.068   1.345   3.596  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.322  -0.941  -2.986  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.842  -2.050  -3.762  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.369   0.420  -3.476  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.275  -0.986  -1.476  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.712  -0.072  -1.407  0.00  0.00    -0.047 S 
ATOM     21  C   LIG    1        2.997  -0.646   0.191  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        1.970  -1.512   0.539  0.00  0.00    +0.129 A 
ATOM     23  N   LIG    1        0.982  -1.713  -0.409  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.177  -0.242   0.953  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        4.780   1.001   0.851  0.00  0.00    +0.123 A 
ATOM     26  N   LIG    1        5.864   1.385   1.563  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        6.357   0.475   2.415  0.00  0.00    +0.221 A 
ATOM     28  N   LIG    1        5.868  -0.757   2.611  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        4.786  -1.083   1.869  0.00  0.00    +0.123 A 
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5