REMARK  Name = BDB009012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.669   0.417   1.483  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.195   1.174   0.687  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.242   1.917   1.261  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        1.391   1.920   2.654  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.532   1.171   3.454  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.489   0.421   2.871  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.610  -0.009  -1.332  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.109  -0.518  -0.339  0.00  0.00    +0.228 C 
ATOM      9  N   LIG    1       -1.727  -0.362   0.977  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -2.293  -0.851   1.657  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.293  -1.450  -0.498  0.00  0.00    +0.072 C 
ATOM     12  C   LIG    1       -3.228  -2.468  -1.638  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -3.061  -2.937  -0.229  0.00  0.00    +0.022 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.661  -0.844  -0.195  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1       -5.347  -1.107   1.004  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -6.593  -0.532   1.272  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.178   0.326   0.346  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.518   0.609  -0.846  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.274   0.031  -1.109  0.00  0.00    +0.004 A 
ENDBRANCH  11  14
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1        2.168   2.749   0.401  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.721   2.019  -0.820  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        3.690   0.891  -0.638  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        4.178   0.499   0.728  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        5.414  -0.405   0.692  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.259  -1.500  -0.356  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.051  -0.902  -1.748  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.104   0.266  -1.754  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        3.626   0.720  -3.085  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        3.992   0.177  -4.122  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        2.772   1.788  -3.080  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        2.417   2.105  -3.976  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        2.307   2.436  -1.979  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5