REMARK  Name = BDB060021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.860  -2.948   1.405  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.474  -1.816   0.596  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -2.440  -1.748  -0.748  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -1.942  -0.671  -1.267  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1       -1.571   0.203  -0.104  0.00  0.00    +0.166 C 
ATOM      6  C   LIG    1       -1.873  -0.699   1.102  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1       -1.601  -0.485   2.275  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.400   1.494  -0.079  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -3.088   1.936  -1.223  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -3.828   3.121  -1.208  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.886   3.893  -0.051  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.200   3.483   1.089  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.460   2.298   1.074  0.00  0.00    +0.006 A 
ENDBRANCH   5   8
BRANCH   3  14
ATOM     14  N   LIG    1       -2.901  -2.755  -1.526  0.00  0.00    -0.331 N 
ATOM     15  H   LIG    1       -3.716  -3.245  -1.184  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -3.000  -2.465  -2.494  0.00  0.00    +0.145 HD
ENDBRANCH   3  14
BRANCH   5  17
ATOM     17  C   LIG    1       -0.066   0.545  -0.191  0.00  0.00    +0.045 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.870  -0.674  -0.262  0.00  0.00    +0.007 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.354  -0.284  -0.407  0.00  0.00    -0.011 C 
ATOM     20  C   LIG    1        2.864   0.527   0.801  0.00  0.00    +0.003 C 
ATOM     21  C   LIG    1        4.373   0.409   1.034  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        5.129   0.136  -0.257  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        4.681  -1.173  -0.907  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        3.220  -1.532  -0.620  0.00  0.00    +0.003 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5