REMARK  Name = BDB063719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.091   0.202   0.103  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -3.732  -1.281   0.018  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -2.074  -1.645  -0.657  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -2.264  -0.495  -2.036  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -2.433   0.822  -1.472  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -1.545   1.459  -2.263  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1       -1.320   2.628  -2.454  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1       -0.976   0.057  -2.718  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -3.416   1.151  -0.595  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        0.326  -0.323  -2.116  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        0.367  -0.718  -1.179  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        1.529   0.027  -2.687  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        1.597   0.565  -3.788  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        2.681  -0.306  -1.878  0.00  0.00    +0.190 A 
ATOM     15  O   LIG    1        2.494  -0.946  -0.680  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1        3.724  -1.123  -0.116  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        4.701  -0.619  -0.949  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        4.031  -0.094  -2.080  0.00  0.00    +0.055 A 
BRANCH  16  19
ATOM     19  C   LIG    1        3.764  -1.798   1.207  0.00  0.00    +0.234 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.063  -0.993   2.157  0.00  0.00    -0.372 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.844   0.052   2.731  0.00  0.00    +0.157 C 
ATOM     22  C   LIG    1        4.661  -0.464   3.903  0.00  0.00    +0.034 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  24
ATOM     23  C   LIG    1       -5.998  -0.309   1.662  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -5.190   0.544   1.017  0.00  0.00    -0.001 C 
ENDBRANCH   1  24
BRANCH   9  25
ATOM     25  C   LIG    1       -3.678   2.601  -0.407  0.00  0.00    +0.352 C 
ATOM     26  O   LIG    1       -4.681   3.202  -0.748  0.00  0.00    -0.244 OA
BRANCH  25  27
ATOM     27  OXT LIG    1       -2.654   3.197   0.227  0.00  0.00    -0.476 OA
ATOM     28  HXT LIG    1       -2.871   4.151   0.201  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   9  25
TORSDOF 8