REMARK  Name = BDB043072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.635  -1.017   1.696  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -2.339  -0.205   1.413  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -2.413   0.919   0.899  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.134  -0.688   1.882  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.926  -1.948   2.577  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.532  -1.905   3.057  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.886  -0.417   3.093  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.382  -0.163   2.890  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.628   1.154   2.152  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        1.998   1.221   0.825  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        0.820   0.340   0.677  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.158  -3.173   1.687  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.438  -3.142   0.855  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.022   0.199   1.985  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -3.625  -2.550   1.599  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -4.914  -0.611  -0.411  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -4.731  -0.388   0.941  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -4.918   0.566   1.227  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -4.309  -1.477  -1.041  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -5.899   0.372  -1.102  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -7.227   0.466  -0.356  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -6.257   0.993  -3.426  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -6.163  -0.107  -2.478  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -5.377  -0.712  -2.745  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.941   1.012  -0.287  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.862   2.222  -0.517  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.791   1.996  -1.687  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        6.040   1.386  -1.495  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        6.896   1.146  -2.578  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        8.245   0.528  -2.357  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        6.500   1.542  -3.860  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        5.258   2.144  -4.061  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        4.405   2.366  -2.981  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6