REMARK  Name = BDB028800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.473  -2.509  -1.324  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -0.690  -1.391  -0.853  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1       -1.142  -0.212  -0.320  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.004   0.533  -0.116  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.100  -0.280  -0.515  0.00  0.00    +0.151 A 
ATOM      6  N   LIG    1        0.646  -1.460  -0.943  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.459   0.069  -0.456  0.00  0.00    -0.238 N 
ATOM      8  C   LIG    1        3.425  -0.736  -1.076  0.00  0.00    +0.314 C 
ATOM      9  O   LIG    1        3.265  -1.768  -1.720  0.00  0.00    -0.252 OA
ATOM     10  N   LIG    1        4.725  -0.292  -0.923  0.00  0.00    -0.240 N 
ATOM     11  H   LIG    1        5.413  -0.879  -1.374  0.00  0.00    +0.159 HD
ATOM     12  C   LIG    1        5.193   0.470   0.110  0.00  0.00    +0.222 C 
ATOM     13  O   LIG    1        6.389   0.525   0.383  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        4.148   1.154   0.937  0.00  0.00    +0.115 C 
ATOM     15  C   LIG    1        2.903   1.341   0.096  0.00  0.00    +0.126 C 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  C   LIG    1       -2.539   0.129  -0.079  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.111   1.237  -0.716  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -4.447   1.571  -0.488  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.219   0.804   0.383  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.655  -0.295   1.030  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.319  -0.630   0.801  0.00  0.00    +0.010 A 
ENDBRANCH   3  16
TORSDOF 2