REMARK  Name = BDB017137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.720  -1.038   1.358  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        4.059  -0.495   0.092  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        3.011   0.037  -0.702  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        3.295   0.577  -1.968  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        4.596   0.599  -2.466  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        5.633   0.079  -1.706  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.686   0.022  -0.230  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.367  -0.504   1.023  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.369  -0.462  -0.446  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        2.391  -1.037   1.811  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.440  -2.806   2.852  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.155  -3.242   3.420  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        3.635  -3.359   2.589  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.750  -1.609   2.267  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        5.816  -1.054   2.487  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   8  16
ATOM     16  C   LIG    1       -0.023  -0.562   1.574  0.00  0.00    +0.167 C 
ATOM     17  O   LIG    1       -0.255  -1.411   2.439  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.149   0.349   1.088  0.00  0.00    +0.074 C 
ATOM     19  C   LIG    1       -1.812  -0.242  -0.164  0.00  0.00    +0.096 C 
ATOM     20  N   LIG    1       -2.970   0.517  -0.680  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -2.879   1.964  -0.410  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -1.443   2.467  -0.264  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -0.778   1.830   0.951  0.00  0.00    +0.014 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.229  -0.031  -0.121  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1       -5.472   0.581  -0.828  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -5.378  -0.532  -1.887  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -4.587  -1.357  -0.854  0.00  0.00    +0.019 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 4