REMARK  Name = BDB064742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.603  -1.929  -0.623  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        0.285  -2.317  -0.277  0.00  0.00    -0.004 A 
ATOM      3  C   LIG    1       -0.170  -3.608  -0.584  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        0.665  -4.512  -1.236  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.952  -4.125  -1.581  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1        2.426  -2.849  -1.283  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.266  -0.051  -0.506  0.00  0.00    +0.241 C 
ATOM      8  N   LIG    1        2.037  -0.623  -0.282  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.364  -0.063   0.223  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        4.258  -0.576  -0.997  0.00  0.00    -0.271 OA
BRANCH   7  13
ATOM     11  C   LIG    1        2.545   3.670   0.423  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        2.380   2.257  -0.036  0.00  0.00    -0.025 C 
ATOM     13  C   LIG    1        3.377   1.356  -0.024  0.00  0.00    +0.063 C 
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  C   LIG    1       -0.662  -1.414   0.395  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -1.269  -0.420  -0.272  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.210   0.526   0.343  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -3.288   1.001  -0.419  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1       -4.173   1.927   0.131  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -4.002   2.405   1.424  0.00  0.00    +0.090 A 
ATOM     20  C   LIG    1       -2.924   1.946   2.171  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -2.029   1.018   1.642  0.00  0.00    +0.053 A 
BRANCH  18  22
ATOM     22  O   LIG    1       -5.237   2.400  -0.581  0.00  0.00    -0.507 OA
ATOM     23  H   LIG    1       -5.250   1.969  -1.452  0.00  0.00    +0.292 HD
ENDBRANCH  18  22
BRANCH  20  24
ATOM     24  O   LIG    1       -2.700   2.389   3.442  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -3.409   3.010   3.681  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
ENDBRANCH  15  16
ENDBRANCH   2  14
BRANCH   5  26
ATOM     26  O   LIG    1        2.737  -5.039  -2.221  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        3.607  -4.636  -2.384  0.00  0.00    +0.292 HD
ENDBRANCH   5  26
TORSDOF 7