REMARK  Name = BDB023159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.545   1.361  -1.045  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.580   1.081  -0.076  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.342   1.383  -1.765  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.279   1.745  -2.930  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.800   0.938  -0.987  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.033   0.974  -1.594  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.952   0.519  -0.702  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.334   0.183   0.490  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.141  -0.303   1.525  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.519  -0.437   1.331  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.119  -0.099   0.109  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.603  -0.640   2.705  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.322   0.403  -0.935  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.952   0.452   0.303  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.516  -0.228  -0.062  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.228  -0.381  -1.300  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.430  -0.816  -0.457  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.398  -1.123   0.633  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.989   1.813  -1.734  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.361   0.844  -2.738  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.953   3.235  -1.990  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -5.337   0.037   1.064  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1       -4.471   0.257  -0.017  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -4.085   1.561  -0.350  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -4.552   2.655   0.380  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -5.400   2.440   1.465  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.784   1.140   1.808  0.00  0.00    +0.006 A 
BRANCH  22  28
ATOM     28  C   LIG    1       -5.748  -1.360   1.472  0.00  0.00    +0.194 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -6.973  -2.205  -0.374  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1       -5.764  -2.271   0.373  0.00  0.00    -0.378 OA
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6