REMARK  Name = BDB045515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.531  -0.163   0.341  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        4.197   0.253   0.173  0.00  0.00    +0.107 A 
ATOM      3  C   LIG    1        3.896   1.615  -0.156  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.538   1.712  -0.252  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        2.047   0.450   0.011  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        4.797   2.656  -0.346  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.127   2.216  -0.173  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        3.050  -0.447   0.272  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.483   0.870   0.156  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.685   0.033   0.033  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1        0.373  -1.301   0.325  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -0.959  -1.726   0.350  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -2.013  -0.836   0.084  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1       -1.688   0.494  -0.207  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -0.356   0.929  -0.233  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.446  -1.357   0.130  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.273  -0.788   1.304  0.00  0.00    +0.089 C 
ATOM     18  N   LIG    1       -4.909   0.509   1.048  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -4.190   1.221   0.943  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -5.741   0.459  -0.153  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -4.939   0.080  -1.394  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -4.196  -1.242  -1.210  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  24
ATOM     23  O   LIG    1        7.087  -1.867   0.816  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1        5.920  -1.539   0.678  0.00  0.00    +0.339 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.888  -2.400   0.820  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        4.005  -1.983   0.677  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 4