REMARK  Name = BDB028578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.139   2.850  -0.545  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.895   1.885  -0.790  0.00  0.00    -0.447 OA
BRANCH   2   4
ATOM      3  O   LIG    1       -1.531   2.112   1.365  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1       -1.694   1.571   0.279  0.00  0.00    +0.407 C 
ATOM      5  N   LIG    1       -2.661   0.609  -0.055  0.00  0.00    -0.237 N 
ATOM      6  C   LIG    1       -3.722   0.201   0.837  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -4.767  -0.626   0.362  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -5.831  -0.996   1.207  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -5.860  -0.585   2.534  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.828   0.201   3.023  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.808  -1.106  -1.063  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -3.402  -1.214  -1.608  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1       -3.774   0.587   2.185  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.700   0.119  -1.437  0.00  0.00    +0.117 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.389   2.224   0.096  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.348   3.273   0.311  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1        2.666   3.577  -0.555  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1        1.990   1.109  -0.804  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.883   0.141  -0.129  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.301  -0.894  -1.108  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        4.299  -1.837  -0.502  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1        5.040  -1.511   0.614  0.00  0.00    -0.005 A 
ATOM     23  S   LIG    1        6.124  -2.729   1.083  0.00  0.00    -0.101 S 
ATOM     24  C   LIG    1        5.624  -3.733  -0.211  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.878  -0.232   1.363  0.00  0.00    +0.058 C 
ATOM     26  C   LIG    1        4.647  -3.138  -0.982  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        4.053   0.771   0.522  0.00  0.00    +0.090 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6