REMARK  Name = BDB037156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.440  -0.726   1.913  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -1.075   0.095   2.390  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.680  -1.417   0.966  0.00  0.00    +0.266 C 
ATOM      4  O   LIG    1       -1.148  -2.272   0.228  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.759  -1.058   0.878  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        1.323   0.003   1.586  0.00  0.00    +0.177 A 
ATOM      7  F   LIG    1        0.565   0.753   2.404  0.00  0.00    -0.201 F 
ATOM      8  C   LIG    1        2.686   0.303   1.462  0.00  0.00    +0.161 A 
ATOM      9  C   LIG    1        3.519  -0.478   0.647  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.949  -1.544  -0.067  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        1.585  -1.829   0.046  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  O   LIG    1        3.260   1.316   2.186  0.00  0.00    -0.492 OA
ATOM     13  C   LIG    1        2.734   2.595   1.821  0.00  0.00    +0.277 C 
ENDBRANCH   8  12
BRANCH   9  14
ATOM     14  C   LIG    1        4.987  -0.160   0.491  0.00  0.00    +0.182 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.239   0.598  -0.729  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        5.033   1.933  -0.762  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.381   2.276  -2.005  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        5.815   1.176  -2.765  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.719   0.103  -1.911  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -3.090  -0.879   2.099  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1       -3.490   0.207   2.973  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -3.333  -2.253   2.482  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.322   0.633  -0.177  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.746  -0.523   0.496  0.00  0.00    +0.191 A 
ATOM     25  C   LIG    1       -4.686  -1.359  -0.113  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -5.191  -1.043  -1.381  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.734   0.083  -2.062  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.794   0.918  -1.464  0.00  0.00    +0.048 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -2.989   2.712   0.768  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -2.389   1.473   0.377  0.00  0.00    -0.493 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -5.228  -2.436   0.531  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.673  -3.657   0.034  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8