REMARK  Name = BDB059345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.209  -1.115   0.627  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.342  -1.848  -0.540  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.784  -1.593  -1.356  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        2.119  -1.010   1.444  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.457  -0.106   0.401  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.262  -0.804   0.190  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1       -0.080  -0.403   0.826  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -0.101   0.691   1.695  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -1.292   1.376   1.896  0.00  0.00    +0.128 A 
ATOM     10  F   LIG    1       -1.311   2.431   2.721  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.468   0.993   1.257  0.00  0.00    +0.084 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -3.531  -0.603  -0.284  0.00  0.00    -0.492 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -4.785   0.058  -0.102  0.00  0.00    +0.229 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.198  -0.040  -0.826  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -5.823  -0.670  -0.951  0.00  0.00    +0.038 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.776  -2.276  -0.891  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        3.344  -2.435  -0.045  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.582  -1.207  -1.968  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        2.535  -0.522  -2.706  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        4.629  -1.936  -2.647  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.347  -0.034  -0.904  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        5.150  -0.488   0.133  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        5.324  -1.801   0.342  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        5.766   0.417   0.992  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.575   1.787   0.805  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.767   2.246  -0.238  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.149   1.336  -1.097  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7