REMARK  Name = BDB023197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.474  -0.048  -2.364  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.580  -1.010  -2.069  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.417   0.733  -1.878  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.406   1.952  -1.968  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.622  -0.050  -1.238  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.620   0.630  -0.584  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.467  -0.287  -0.048  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.035  -1.568  -0.346  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.794  -2.639   0.140  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        3.946  -2.392   0.894  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.368  -1.084   1.173  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.422  -3.903  -0.105  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.608   0.001   0.700  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.852  -1.412  -1.116  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.527  -0.856   1.948  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.653  -1.732   2.107  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.403  -0.525   2.679  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.355   0.317   1.945  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.943   0.596  -2.811  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.704   1.411  -3.981  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.861  -0.524  -2.878  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -4.140   3.568  -2.931  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -3.957   2.905  -1.594  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1       -3.452   1.597  -1.422  0.00  0.00    +0.153 A 
ATOM     25  C   LIG    1       -3.354   1.035  -0.132  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1       -3.683   1.807   0.986  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.157   3.106   0.827  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.299   3.646  -0.449  0.00  0.00    +0.005 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -2.848  -0.233   0.001  0.00  0.00    -0.487 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -3.477  -1.085   0.970  0.00  0.00    +0.167 C 
ATOM     31  C   LIG    1       -2.467  -1.385   2.072  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -3.866  -2.370   0.249  0.00  0.00    +0.051 C 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6