REMARK  Name = BDB031654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.909   0.905  -0.646  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.473  -0.467  -0.526  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.317  -0.590  -1.313  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.430  -1.773  -1.389  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.004  -2.871  -0.653  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -1.173  -2.801   0.096  0.00  0.00    +0.006 A 
ATOM      7  N   LIG    1       -0.115   0.621  -1.937  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.633   0.815  -2.588  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.949  -1.623   0.157  0.00  0.00    -0.040 A 
ATOM     10  C   LIG    1       -3.232  -1.682   0.946  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -1.067   1.516  -1.558  0.00  0.00    +0.096 A 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -3.986   2.148   2.189  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1       -3.083   1.392   1.364  0.00  0.00    -0.314 N 
ATOM     14  H   LIG    1       -2.315   0.900   1.801  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -2.997   1.622   0.009  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -3.709   2.423  -0.586  0.00  0.00    -0.270 OA
ENDBRANCH   1  15
BRANCH   4  17
ATOM     17  N   LIG    1        1.634  -1.836  -2.138  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1        1.683  -1.382  -3.046  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.110  -1.938  -1.336  0.00  0.00    +0.072 S 
ATOM     20  O   LIG    1        3.146  -3.138  -0.529  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        4.125  -1.669  -2.333  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.070  -0.537  -0.239  0.00  0.00    +0.110 A 
ATOM     23  C   LIG    1        3.503   0.711  -0.701  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        3.472   1.810   0.163  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1        3.022   1.651   1.480  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        2.611   0.397   1.939  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        2.639  -0.702   1.082  0.00  0.00    +0.029 A 
BRANCH  24  28
ATOM     28  C   LIG    1        3.895   3.099  -0.300  0.00  0.00    +0.099 C 
ATOM     29  N   LIG    1        4.225   4.142  -0.688  0.00  0.00    -0.191 NA
ENDBRANCH  24  28
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5