REMARK  Name = BDB023370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.945   0.244  -2.492  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.906   0.465  -1.498  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.240  -0.885  -2.922  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.350  -1.376  -4.035  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.631  -1.404  -1.889  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.654  -0.796  -0.657  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        1.543  -1.481   0.114  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        2.095  -2.531  -0.604  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.030  -3.341   0.049  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.376  -3.073   1.378  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        2.815  -1.997   2.089  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        3.598  -4.377  -0.584  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.865  -1.185   1.438  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        1.504  -2.477  -1.892  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        3.196  -1.737   3.528  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        4.648  -1.539   3.901  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        3.705  -0.375   3.943  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -2.285   0.803  -3.290  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -1.847   1.399  -4.534  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -3.320  -0.206  -3.240  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -2.927   1.996  -0.862  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -2.849   2.139  -2.256  0.00  0.00    +0.153 A 
ATOM     23  C   LIG    1       -3.232   3.333  -2.878  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1       -3.691   4.384  -2.098  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1       -4.060   5.530  -2.683  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -3.767   4.268  -0.716  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.380   3.077  -0.095  0.00  0.00    +0.050 A 
BRANCH  21  29
ATOM     28  C   LIG    1       -3.142   0.422   0.895  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -2.486   0.825  -0.307  0.00  0.00    -0.493 OA
ENDBRANCH  21  29
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 5