REMARK  Name = BDB008929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.770  -0.137  -0.135  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.641  -0.375  -0.926  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.032  -1.544  -1.024  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        0.459  -2.618  -0.257  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.567  -2.434   0.536  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.217  -1.202   0.596  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.816   2.059  -0.866  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.405   1.211  -0.091  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        3.452   1.503   0.662  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        3.530   2.805   0.156  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.536   1.806   1.442  0.00  0.00    +0.101 C 
ATOM     12  C   LIG    1        5.059   0.831   2.449  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1        6.448   1.230   2.041  0.00  0.00    -0.312 NA
ATOM     14  H   LIG    1        7.094   0.425   2.054  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        5.911   1.563   0.725  0.00  0.00    +0.104 C 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.226  -1.779  -1.853  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.486  -1.726  -1.133  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -3.168  -0.578  -0.898  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -2.812   0.717  -1.499  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.678   1.704  -0.368  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.899   1.730   0.512  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.968   0.751   0.101  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.335  -0.568  -0.100  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.768  -1.756   0.430  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -5.824  -1.753   1.153  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.077  -2.881   0.178  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -4.438  -3.786   0.600  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -2.987  -2.863  -0.570  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4