REMARK  Name = BDB028298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.419   0.112   0.725  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.148   0.421   0.019  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.786   1.764  -0.073  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.608   2.141  -0.726  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.220   1.166  -1.282  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.120  -0.188  -1.179  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1       -2.648   2.787   0.541  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -2.371   3.979   0.473  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -3.763   2.324   1.194  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -4.370   3.015   1.625  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.308  -0.558  -0.529  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.156   1.026   1.287  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.742  -1.215  -1.749  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.081  -1.376  -1.413  0.00  0.00    +0.047 A 
ATOM     15  S   LIG    1        2.707  -2.701  -2.313  0.00  0.00    +0.012 S 
ATOM     16  N   LIG    1        1.302  -3.058  -3.115  0.00  0.00    -0.218 NA
ATOM     17  C   LIG    1        0.367  -2.201  -2.718  0.00  0.00    +0.129 A 
BRANCH  14  18
ATOM     18  C   LIG    1        2.941  -0.670  -0.463  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1        2.613  -0.642   0.900  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        3.420   0.046   1.809  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.560   0.713   1.365  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.896   0.692   0.013  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.090   0.005  -0.898  0.00  0.00    +0.009 A 
ENDBRANCH  14  18
ENDBRANCH   6  13
BRANCH   1  24
ATOM     24  C   LIG    1       -3.901  -1.333   0.839  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.411  -1.912   2.091  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -3.807  -1.372   2.864  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -2.402  -1.802   2.166  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 4