REMARK  Name = BDB016526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.887  -1.538  -3.267  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        2.512  -0.437  -2.413  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.301  -0.660  -1.112  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        1.979   0.551  -0.597  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        1.843   0.752   0.863  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        1.480  -0.298   1.689  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        1.539  -0.060   2.670  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        1.214  -1.672   1.310  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1        0.491  -2.451   2.410  0.00  0.00    +0.031 C 
ATOM     10  C   LIG    1        0.036  -3.837   1.931  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1       -0.996  -3.710   0.890  0.00  0.00    -0.100 C 
ATOM     12  C   LIG    1       -1.806  -3.412   0.053  0.00  0.00    -0.079 C 
ATOM     13  C   LIG    1       -2.741  -2.811  -0.912  0.00  0.00    +0.231 C 
ATOM     14  N   LIG    1       -2.963  -1.402  -0.592  0.00  0.00    -0.259 N 
ATOM     15  N   LIG    1       -4.145  -0.995  -0.082  0.00  0.00    -0.178 NA
ATOM     16  C   LIG    1       -3.891   0.252   0.327  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -2.566   0.663   0.055  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.841   1.867   0.420  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1       -0.756   2.177  -0.331  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1       -0.056   3.285   0.033  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        1.053   3.744  -0.855  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        1.718   2.895  -1.708  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        2.150   3.387  -2.478  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.292   4.954  -0.931  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1       -0.403   4.095   1.112  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -1.514   3.751   1.870  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.248   2.624   1.518  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -2.019  -0.410  -0.616  0.00  0.00    +0.119 A 
ATOM     29  O   LIG    1        2.079   1.836   1.402  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        1.962   1.537  -1.643  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        2.362   0.860  -2.775  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0