REMARK  Name = BDB023285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.755   0.661  -0.942  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -1.299  -0.468  -1.033  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -2.098  -1.576  -1.324  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -1.722  -2.507  -1.446  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.099  -0.801  -0.836  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.961   0.228  -0.544  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.206  -0.296  -0.399  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.171  -1.667  -0.591  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.377  -2.368  -0.480  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.559  -1.683  -0.180  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.564  -0.294   0.021  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.410  -3.696  -0.661  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.361   0.425  -0.100  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.816  -1.988  -0.872  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.771   0.381   0.309  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        5.921   1.645   0.977  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.402   1.285   1.139  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.948  -0.163   0.927  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -3.698  -1.480  -1.731  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -4.150  -2.857  -1.779  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.853  -0.611  -2.873  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.590  -0.790  -0.426  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1       -5.050   0.555  -0.303  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -5.727   0.637   0.919  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -6.325   1.816   1.380  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -6.230   2.953   0.574  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.559   2.910  -0.644  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -5.669  -0.606   1.508  0.00  0.00    -0.359 N 
ATOM     29  H   LIG    1       -6.086  -0.833   2.401  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -4.968   1.723  -1.092  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -4.975  -1.474   0.713  0.00  0.00    +0.112 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4