REMARK  Name = BDB063854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.049   2.685  -2.978  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.949   1.902  -2.055  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.022   1.231  -1.274  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.319   1.432  -1.539  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.448   0.417  -0.321  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.166   0.563  -0.487  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.177   1.415  -1.478  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.096   1.675  -1.779  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.465   0.816  -0.850  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.454   0.542   0.529  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        5.596  -0.013   1.133  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        6.721  -0.268   0.358  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        7.642  -0.796   1.224  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1        8.584  -1.103   1.011  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1        7.210  -0.901   2.494  0.00  0.00    -0.181 NA
ATOM     16  C   LIG    1        6.777   0.005  -1.009  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        5.963  -0.423   2.434  0.00  0.00    +0.142 A 
ATOM     18  C   LIG    1        5.628   0.557  -1.593  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -0.730  -0.098   0.286  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -0.269  -0.748   0.918  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.169  -0.251   0.170  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -2.571  -0.842  -1.199  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -4.097  -1.035  -1.270  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -4.537  -2.011  -0.167  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.160  -1.448   1.212  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -4.861  -0.097   1.418  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.423   0.892   0.327  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -4.790   0.321  -1.054  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -2.638  -1.241   1.273  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -2.898   1.091   0.404  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3