REMARK  Name = BDB063712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.880  -0.762   0.122  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1       -1.627  -1.625   0.003  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1       -0.130  -0.878   0.725  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1       -0.356   0.689  -0.142  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1       -1.619   1.243   0.276  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -1.151   2.394   0.799  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1       -1.679   3.311   1.381  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1        0.314   1.976   0.441  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1       -2.810   0.581   0.314  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1        1.231   1.860   1.602  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1        0.859   1.996   2.538  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1        2.464   1.244   1.649  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        2.935   1.006   2.761  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.131   0.905   0.409  0.00  0.00    +0.190 A 
ATOM     15  O   LIG    1        3.866  -0.253   0.384  0.00  0.00    -0.452 OA
ATOM     16  C   LIG    1        4.400  -0.382  -0.862  0.00  0.00    +0.137 A 
ATOM     17  C   LIG    1        4.036   0.692  -1.643  0.00  0.00    +0.048 A 
ATOM     18  C   LIG    1        3.233   1.524  -0.825  0.00  0.00    +0.055 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.231  -1.582  -1.101  0.00  0.00    +0.287 C 
ATOM     20  F   LIG    1        5.530  -1.709  -2.425  0.00  0.00    -0.241 F 
ENDBRANCH  16  19
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  C   LIG    1       -4.342  -2.757  -0.327  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -4.158  -1.483   0.045  0.00  0.00    -0.001 C 
ENDBRANCH   1  22
BRANCH   9  23
ATOM     23  C   LIG    1       -4.019   1.416   0.569  0.00  0.00    +0.352 C 
ATOM     24  O   LIG    1       -4.892   1.218   1.394  0.00  0.00    -0.244 OA
BRANCH  23  25
ATOM     25  OXT LIG    1       -4.067   2.462  -0.279  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1       -4.839   2.979   0.031  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   9  23
TORSDOF 6