REMARK  Name = BDB028581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.612  -0.995   0.687  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.823  -0.968   0.539  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        0.628   0.258  -1.383  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.317  -0.271  -0.518  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.703  -0.238  -0.526  0.00  0.00    -0.263 N 
ATOM      6  C   LIG    1        3.341   0.318  -1.710  0.00  0.00    +0.146 C 
ATOM      7  C   LIG    1        4.826   0.566  -1.571  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        5.529   0.220  -0.404  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        6.904   0.480  -0.314  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.583   1.056  -1.387  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.895   1.386  -2.551  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.793  -0.371   0.770  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.524   1.144  -2.643  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.519  -1.088   0.331  0.00  0.00    +0.116 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.016  -0.050   1.827  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.751   1.313   1.471  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -0.947   1.866   2.244  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -2.489  -0.233   2.267  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.498  -0.343   1.195  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -4.813  -0.708   1.787  0.00  0.00    +0.127 C 
ATOM     21  C   LIG    1       -5.912  -0.643   0.767  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -5.827   0.025  -0.437  0.00  0.00    -0.035 A 
ATOM     23  C   LIG    1       -7.040  -0.068  -1.178  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -7.999  -0.794  -0.504  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.557   0.708  -0.834  0.00  0.00    +0.051 C 
ATOM     26  S   LIG    1       -7.436  -1.359   1.012  0.00  0.00    -0.100 S 
ATOM     27  C   LIG    1       -3.615   0.892   0.381  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6