REMARK  Name = BDB059349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.269   0.737   1.467  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.047   0.553   0.292  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.894   0.598  -0.722  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.702   0.149  -1.621  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.456   0.262  -0.084  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.844  -0.001  -1.396  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1        0.949  -0.009  -2.395  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        3.172  -0.270  -1.706  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        4.134  -0.276  -0.692  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.791  -0.016   0.650  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        2.433   0.251   0.927  0.00  0.00    +0.027 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.811  -0.024   1.720  0.00  0.00    +0.160 A 
ATOM     13  N   LIG    1        6.085  -0.299   1.376  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        6.991  -0.300   2.372  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        6.678  -0.041   3.684  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        5.355   0.229   3.933  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        4.407   0.245   2.977  0.00  0.00    -0.236 NA
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1       -2.362   0.533  -0.265  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -2.408   0.648   0.761  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.143  -0.937  -0.669  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1       -3.319  -1.676   0.561  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -2.447  -1.501  -1.809  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.721  -0.348  -1.216  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1       -4.841   0.194  -2.500  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -6.086   0.641  -2.942  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.201   0.539  -2.108  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.078  -0.013  -0.832  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.837  -0.462  -0.381  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5