REMARK  Name = BDB000976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.183   0.329   0.326  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.871  -0.088   0.064  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        1.541  -1.027  -0.902  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.185  -1.234  -0.942  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -0.326  -0.440  -0.015  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1        2.562  -1.612  -1.664  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.888  -1.232  -1.418  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.666   0.262   0.622  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1        0.559   0.921   1.385  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        4.194  -0.280  -0.438  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.778  -0.297   0.362  0.00  0.00    +0.120 C 
ATOM     12  N   LIG    1       -2.543  -1.486  -0.068  0.00  0.00    -0.307 NA
ATOM     13  H   LIG    1       -1.857  -2.199  -0.335  0.00  0.00    +0.123 HD
ATOM     14  C   LIG    1       -3.397  -1.219  -1.220  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -4.443  -0.154  -0.893  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1       -3.863   1.039  -0.132  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -2.340   1.036  -0.170  0.00  0.00    +0.026 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     18  N   LIG    1        4.668   1.902   1.472  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.772   2.664   2.131  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        5.375   1.808   0.759  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        3.422   1.350   1.376  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        2.517   1.715   2.121  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2