REMARK  Name = BDB033446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.836  -0.463   1.755  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.696  -0.768   0.820  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.941   0.239   0.157  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.895  -0.145  -0.695  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -0.321   1.012  -1.180  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        0.508   1.040  -1.763  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -0.965   2.111  -0.686  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.569  -1.488  -0.931  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -1.300  -2.464  -0.255  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.976   1.670   0.139  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -2.342  -2.114   0.599  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        0.499  -1.877  -1.793  0.00  0.00    -0.213 N 
ATOM     13  H   LIG    1        0.690  -1.241  -2.566  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.960  -2.323  -1.053  0.00  0.00    +0.090 S 
ATOM     15  O   LIG    1        2.882  -2.678  -2.110  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1        1.723  -3.184   0.085  0.00  0.00    -0.148 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.681  -0.874  -0.381  0.00  0.00    +0.204 A 
ATOM     18  N   LIG    1        2.506   0.372  -0.996  0.00  0.00    -0.219 NA
ATOM     19  C   LIG    1        3.146   1.300  -0.303  0.00  0.00    +0.146 A 
ATOM     20  S   LIG    1        3.998   0.723   1.082  0.00  0.00    -0.073 S 
ATOM     21  C   LIG    1        3.465  -0.870   0.753  0.00  0.00    +0.096 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.186   2.764  -0.634  0.00  0.00    +0.396 C 
ATOM     23  F   LIG    1        2.325   3.056  -1.653  0.00  0.00    -0.202 F 
ATOM     24  F   LIG    1        2.784   3.530   0.417  0.00  0.00    -0.202 F 
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  25
ATOM     25  C   LIG    1       -2.868   2.534   0.849  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1       -3.591   3.235   1.425  0.00  0.00    -0.191 NA
ENDBRANCH  10  25
TORSDOF 5