REMARK  Name = BDB045975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.195   0.256   1.319  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1        0.598  -0.558   0.531  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.988  -1.676   0.813  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.884   0.176  -0.719  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.222   1.414  -0.607  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        0.268   2.359  -1.619  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.990   2.051  -2.767  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.650   0.815  -2.882  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        1.614  -0.153  -1.855  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -0.492   1.526   0.699  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        2.366  -1.413  -2.122  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        2.852  -1.627  -3.230  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.535  -2.333  -1.136  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        2.983  -3.204  -1.380  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.052  -2.298  -0.239  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1       -0.707  -0.116   2.625  0.00  0.00    +0.108 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -3.131  -0.499   1.933  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -1.880  -1.095   2.562  0.00  0.00    +0.016 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3