REMARK  Name = BDB049299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.685  -1.269   0.457  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -1.280  -1.537   0.444  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.121  -2.874   0.790  0.00  0.00    +0.139 A 
ATOM      4  N   LIG    1        0.028  -3.563   0.901  0.00  0.00    -0.237 NA
ATOM      5  C   LIG    1        1.121  -2.800   0.638  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.135  -1.447   0.282  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.360  -3.405   1.011  0.00  0.00    -0.345 N 
ATOM      8  H   LIG    1       -2.515  -4.366   1.276  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -0.108  -0.800   0.188  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -3.320  -2.446   0.815  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.393  -0.730   0.021  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        2.685   0.473   0.693  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        3.891   1.158   0.440  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        4.785   0.623  -0.485  0.00  0.00    +0.046 A 
ATOM     15  N   LIG    1        5.866   1.473  -0.544  0.00  0.00    -0.361 N 
ATOM     16  H   LIG    1        6.673   1.334  -1.135  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        5.686   2.526   0.314  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        4.532  -0.567  -1.174  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        4.471   2.357   0.938  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.327  -1.227  -0.903  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
BRANCH   1  24
ATOM     21  C   LIG    1       -4.773   2.318  -0.442  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1       -5.085   1.615   0.714  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.402   0.433   1.012  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -3.404  -0.043   0.152  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -3.102   0.680  -1.011  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -3.786   1.862  -1.310  0.00  0.00    +0.046 A 
BRANCH  21  27
ATOM     27  O   LIG    1       -5.465   3.466  -0.694  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -5.141   3.846  -1.527  0.00  0.00    +0.292 HD
ENDBRANCH  21  27
ENDBRANCH   1  24
TORSDOF 3