REMARK  Name = BDB023198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.579   0.831   0.986  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.175   0.345   1.463  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.394   1.293  -0.320  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.260   1.868  -0.961  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.919   0.968  -0.831  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.800   0.275  -0.037  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.944   0.105  -0.756  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.812   0.677  -2.013  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.902   0.583  -2.885  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.072  -0.066  -2.475  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.184  -0.625  -1.193  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.837   1.107  -4.117  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.092  -0.549  -0.310  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.508   1.231  -2.055  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.370  -1.286  -0.803  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.852  -1.488   0.536  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.201  -1.845  -0.096  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.694  -1.076  -1.320  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.853   1.252   1.957  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -1.995   2.688   1.861  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.589   0.610   3.228  0.00  0.00    -0.150 OA
BRANCH  19  29
ATOM     22  C   LIG    1       -6.537  -1.650  -0.638  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -5.427  -0.896   0.053  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1       -5.680   0.253   0.853  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -4.597   0.933   1.484  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -4.916   2.047   2.306  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -6.225   2.499   2.482  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.265   1.847   1.848  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.280   0.437   1.265  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -3.055  -0.717   0.502  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -6.994   0.739   1.048  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -4.120  -1.372  -0.101  0.00  0.00    +0.006 A 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 4