REMARK  Name = BDB023388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.383  -2.274   0.879  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        1.106  -1.724   1.682  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.824  -2.041  -0.384  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.333  -2.456  -1.414  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.393  -1.254  -0.331  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.929  -0.829  -1.521  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.047  -0.110  -1.241  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.262  -0.069   0.126  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -3.391   0.620   0.597  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1       -4.221   1.276  -0.327  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.980   1.235  -1.714  0.00  0.00    -0.037 A 
ATOM     12  C   LIG    1       -2.870   0.506  -2.182  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -1.195  -0.806   0.708  0.00  0.00    +0.067 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.906   1.933  -2.683  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -5.199   3.407  -2.523  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -4.351   2.939  -3.666  0.00  0.00    +0.009 C 
ENDBRANCH  11  14
BRANCH   9  17
ATOM     17  O   LIG    1       -3.630   0.693   1.946  0.00  0.00    -0.434 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -4.830   0.009   2.285  0.00  0.00    +0.541 C 
ATOM     19  F   LIG    1       -5.873   0.862   2.141  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.757  -0.298   3.605  0.00  0.00    -0.166 F 
ENDBRANCH  17  18
ENDBRANCH   9  17
ENDBRANCH   3   5
BRANCH   1  21
ATOM     21  S   LIG    1        2.860  -2.996   1.107  0.00  0.00    +0.078 S 
ATOM     22  O   LIG    1        3.203  -2.774   2.497  0.00  0.00    -0.150 OA
ATOM     23  O   LIG    1        2.792  -4.341   0.579  0.00  0.00    -0.150 OA
BRANCH  21  25
ATOM     24  C   LIG    1        4.091  -0.662   0.332  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1        3.980  -2.040   0.128  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        4.765  -2.680  -0.837  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        5.655  -1.934  -1.610  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.755  -0.555  -1.424  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.969   0.082  -0.461  0.00  0.00    +0.047 A 
BRANCH  24  30
ATOM     30  O   LIG    1        3.280  -0.032   1.238  0.00  0.00    -0.490 OA
BRANCH  30  32
ATOM     31  C   LIG    1        3.079   0.888   3.430  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        4.037   0.572   2.296  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 8