REMARK  Name = BDB030242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.202   2.101   1.272  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.230   2.009   0.521  0.00  0.00    +0.266 C 
ATOM      3  N   LIG    1        0.118   1.263   0.872  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        0.003   0.700   2.205  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -1.110  -0.289   2.092  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.036  -1.435   1.103  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.740  -0.141   0.749  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -1.026   0.957   0.019  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.773  -2.674   1.399  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -1.050  -3.961   1.567  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1       -2.200  -4.820   1.913  0.00  0.00    +0.144 C 
ATOM     12  C   LIG    1       -2.100  -5.887   2.968  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1       -2.274  -6.270   1.524  0.00  0.00    +0.055 C 
ATOM     14  O   LIG    1       -3.423  -4.053   1.857  0.00  0.00    -0.387 OA
ATOM     15  N   LIG    1       -3.057  -2.712   1.547  0.00  0.00    -0.093 NA
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        1.231   2.672  -0.793  0.00  0.00    +0.143 A 
ATOM     17  N   LIG    1        0.096   3.082  -1.486  0.00  0.00    -0.231 NA
ATOM     18  C   LIG    1        0.543   3.720  -2.548  0.00  0.00    +0.200 A 
ATOM     19  N   LIG    1        1.901   3.709  -2.584  0.00  0.00    -0.333 N 
ATOM     20  C   LIG    1        2.365   3.069  -1.481  0.00  0.00    +0.120 A 
BRANCH  19  21
ATOM     21  C   LIG    1        2.759   4.344  -3.601  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1        3.443   3.521  -4.667  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        2.367   4.493  -5.051  0.00  0.00    +0.027 C 
ENDBRANCH  19  21
ENDBRANCH   2  16
TORSDOF 3