REMARK  Name = BDB027568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.339  -0.261   2.172  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -0.212  -1.456   1.762  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.078  -2.213   0.550  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.981  -3.322   0.481  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.503  -3.450   1.911  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.223  -2.109   2.573  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.111   0.260   3.260  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.949   1.782  -0.436  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        1.650   1.633  -0.783  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1        0.837   0.968   0.075  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1        1.272   0.425   1.269  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.595   0.626   1.642  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        3.447   1.317   0.776  0.00  0.00    +0.044 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.003   2.777  -1.532  0.00  0.00    +0.242 C 
ATOM     15  N   LIG    1        3.685   2.499  -1.376  0.00  0.00    -0.267 N 
ATOM     16  H   LIG    1        3.091   2.963  -2.051  0.00  0.00    +0.157 HD
ATOM     17  O   LIG    1        5.365   3.682  -2.283  0.00  0.00    -0.270 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.130   0.653  -1.010  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        6.043   1.980  -0.847  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -2.045  -3.150  -0.507  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.866  -3.577  -1.410  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.613  -1.927  -0.783  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -2.741  -0.993   0.162  0.00  0.00    -0.215 NA
ATOM     24  C   LIG    1       -3.284   0.185  -0.171  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -3.719   0.464  -1.466  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -4.281   1.713  -1.794  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -4.402   2.696  -0.816  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.966   2.431   0.478  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.545  -0.570  -2.369  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -3.413   1.183   0.787  0.00  0.00    +0.028 A 
ATOM     31  N   LIG    1       -2.994  -1.758  -2.053  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5