REMARK  Name = BDB028000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.145   0.437   0.772  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -1.405   1.638   0.123  0.00  0.00    +0.116 A 
ATOM      3  N   LIG    1       -2.639   2.170  -0.037  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -3.692   1.488   0.446  0.00  0.00    +0.119 A 
ATOM      5  C   LIG    1       -3.530   0.294   1.132  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -2.249  -0.238   1.291  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.523  -0.214   0.561  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        3.134  -0.188   0.643  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        2.545   0.201   1.918  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1        1.154   0.804   1.754  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        0.251  -0.123   0.927  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1        0.909  -0.411  -0.430  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        2.306  -0.998  -0.248  0.00  0.00    +0.111 C 
ATOM     14  O   LIG    1        5.260   0.242   1.426  0.00  0.00    -0.226 OA
BRANCH   7  15
ATOM     15  O   LIG    1        4.960  -0.803  -0.582  0.00  0.00    -0.445 OA
BRANCH  15  17
ATOM     16  C   LIG    1        7.040   0.450  -1.004  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        6.377  -0.925  -0.870  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1        6.434  -1.631  -2.234  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1        7.083  -1.806   0.166  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -4.913   2.110   0.236  0.00  0.00    -0.318 N 
ATOM     21  H   LIG    1       -4.642   2.913  -0.338  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -6.032   1.381  -0.382  0.00  0.00    +0.159 C 
ATOM     23  C   LIG    1       -5.623   0.300  -1.399  0.00  0.00    +0.239 C 
ATOM     24  O   LIG    1       -4.799   0.478  -2.293  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1       -6.299  -0.895  -1.320  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1       -6.023  -1.586  -2.004  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1       -7.553  -1.076  -0.795  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1       -8.222  -2.064  -1.082  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -8.097   0.046   0.054  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -6.973   0.840   0.696  0.00  0.00    +0.041 C 
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5