REMARK  Name = BDB016496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.684   2.034  -2.819  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.366   0.860  -2.042  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.828   1.005  -0.827  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.635  -0.258  -0.379  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        2.182  -0.500   1.006  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        1.287   0.370   1.604  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        1.152   0.184   2.587  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.673   1.544   1.012  0.00  0.00    +0.104 C 
ATOM      9  C   LIG    1       -0.621   1.933   1.727  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -1.373   3.005   0.934  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -2.796   3.276   1.423  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -3.791   2.107   1.371  0.00  0.00    +0.023 C 
ATOM     13  C   LIG    1       -4.039   1.498  -0.017  0.00  0.00    +0.143 C 
ATOM     14  N   LIG    1       -3.065   0.501  -0.423  0.00  0.00    -0.271 N 
ATOM     15  N   LIG    1       -2.354   0.669  -1.553  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -1.474  -0.338  -1.519  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -1.655  -1.187  -0.404  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.850  -2.305   0.051  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1        0.362  -2.421  -0.543  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        1.191  -3.388  -0.071  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        2.503  -3.582  -0.751  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        3.132  -2.583  -1.456  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        3.805  -2.951  -2.115  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        2.990  -4.717  -0.787  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        0.836  -4.278   0.938  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -0.420  -4.157   1.516  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -1.276  -3.155   1.071  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -2.747  -0.648   0.247  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        2.594  -1.451   1.675  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        3.071  -1.204  -1.367  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        3.574  -0.433  -2.394  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0