REMARK  Name = BDB045984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.908   0.289   0.367  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.598  -0.154   0.240  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.405   0.430  -0.407  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.372  -0.478  -0.270  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.728  -1.617   0.543  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.335   1.520  -0.941  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.177  -1.373   0.806  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.047  -2.185   1.516  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.364  -1.761   1.658  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.786  -0.545   1.094  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.783   2.334  -1.017  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -5.195   3.212  -1.299  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -3.785   2.219  -1.189  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.503   1.543  -0.178  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -6.650   1.869   0.114  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1        0.005  -0.200  -0.652  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.753   0.637   0.401  0.00  0.00    +0.124 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.163   0.861   0.043  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1        3.108  -0.166   0.121  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        4.373  -0.038  -0.499  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        5.322  -1.075  -0.432  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.052  -2.238   0.279  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.833  -2.369   0.930  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.733   1.198  -1.284  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        3.855   2.375  -0.896  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        2.882  -1.345   0.854  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        2.403   1.935  -0.929  0.00  0.00    +0.105 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 4