REMARK  Name = BDB032649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.098  -0.520   0.227  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -1.137  -1.392  -0.822  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.077  -2.280  -0.731  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.600  -1.921   0.360  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.001  -0.818   1.000  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.459   0.289  -0.159  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.135   0.508   0.281  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -1.794   1.771   0.804  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.735   2.798   0.878  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.033   2.578   0.434  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.395   1.330  -0.079  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.058  -1.193  -1.152  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.761  -0.969  -0.616  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1        1.741  -2.619   0.716  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1        2.008  -3.401   0.122  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        2.959  -2.012   1.679  0.00  0.00    +0.079 S 
ATOM     17  O   LIG    1        4.016  -3.001   1.707  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.362  -1.541   2.910  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.555  -0.649   0.754  0.00  0.00    +0.178 A 
ATOM     20  C   LIG    1        4.060  -0.879  -0.520  0.00  0.00    +0.153 A 
ATOM     21  F   LIG    1        4.066  -2.111  -1.048  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        4.553   0.173  -1.290  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        4.542   1.470  -0.778  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.035   1.702   0.501  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        3.544   0.640   1.263  0.00  0.00    +0.153 A 
ATOM     26  F   LIG    1        3.058   0.919   2.478  0.00  0.00    -0.203 F 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 5