REMARK  Name = BDB046004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.014   1.980   0.554  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -2.975   1.289  -0.057  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.082   0.210   0.413  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.254  -0.133  -0.639  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.433   0.716  -1.794  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.069  -0.272   1.530  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.573   1.583  -1.374  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.192   2.573  -2.120  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.234   3.280  -1.529  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.636   2.988  -0.214  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.148   0.724   2.680  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.475   0.677   3.635  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -3.354   0.133   2.438  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -4.556   1.781   1.929  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -5.384   2.561   2.392  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1       -0.143  -1.068  -0.531  0.00  0.00    +0.124 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.131  -0.400   0.024  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.281  -1.318   0.140  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1        2.846  -1.662  -1.175  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1        4.015  -2.640  -1.044  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1        5.098  -2.093  -0.123  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1        4.493  -1.671   1.210  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1        3.312  -0.722   1.008  0.00  0.00    +0.084 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 4