REMARK  Name = BDB023296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.782  -3.118  -1.136  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.863  -2.035  -0.577  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        2.088  -1.488  -0.165  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        2.126  -0.637   0.380  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.274  -1.183  -0.278  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.524  -1.671  -0.568  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.435  -0.726  -0.216  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -1.792   0.386   0.301  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -2.586   1.460   0.718  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -3.978   1.386   0.599  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.604   0.252   0.061  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -2.023   2.562   1.233  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.818  -0.840  -0.350  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.403   0.089   0.259  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.012   0.192  -0.037  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -6.786  -0.621  -0.934  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.978   0.272  -0.577  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.926   1.295  -0.141  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        3.521  -2.318  -0.334  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        3.488  -3.434   0.586  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.835  -2.478  -1.735  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.676  -1.120   0.330  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1        4.895   0.133  -0.314  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.782   1.034   0.320  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.001   2.279  -0.275  0.00  0.00    +0.119 A 
ATOM     26  N   LIG    1        5.428   2.697  -1.424  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        4.606   1.826  -2.032  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        6.425   0.686   1.521  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        6.206  -0.552   2.117  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        4.310   0.567  -1.529  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        5.331  -1.455   1.526  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4