REMARK  Name = BDB044040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.065   1.462   0.804  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        2.136   0.652  -0.085  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1        0.853   1.327  -0.163  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1       -0.068   0.308  -0.248  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.482  -0.931   0.062  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.285  -2.084   0.053  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -1.641  -1.965  -0.290  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1       -2.205  -0.711  -0.602  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -1.413   0.450  -0.577  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1        1.906  -0.769   0.441  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.058   1.749  -0.906  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1       -3.243   1.811  -1.208  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -1.290   2.874  -0.860  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -1.724   3.762  -1.069  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -0.311   2.849  -0.596  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   7  16
ATOM     16  N   LIG    1       -2.485  -3.168  -0.315  0.00  0.00    +0.056 N 
ATOM     17  O   LIG    1       -3.680  -3.030  -0.608  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1       -1.948  -4.250  -0.041  0.00  0.00    -0.126 OA
ENDBRANCH   7  16
TORSDOF 2