REMARK  Name = BDB045769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.726  -0.340  -0.265  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -2.080  -1.291  -0.236  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.636  -0.228  -2.051  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -6.569   0.609  -1.445  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -6.237   1.391  -0.344  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -4.960   1.360   0.195  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -4.004   0.513  -0.383  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -2.736   0.532   0.229  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -2.461   1.332   1.275  0.00  0.00    -0.217 NA
ATOM     10  C   LIG    1       -3.452   2.098   1.748  0.00  0.00    +0.129 A 
ATOM     11  C   LIG    1       -3.138   3.004   2.898  0.00  0.00    +0.088 C 
ATOM     12  N   LIG    1       -4.693   2.141   1.244  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1       -4.352  -0.275  -1.518  0.00  0.00    +0.062 A 
BRANCH   3  15
ATOM     14  C   LIG    1       -5.151  -1.743  -3.820  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -6.096  -0.929  -3.133  0.00  0.00    -0.491 OA
ENDBRANCH   3  15
BRANCH   4  16
ATOM     16  O   LIG    1       -7.846   0.686  -1.931  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -7.869   0.077  -2.695  0.00  0.00    +0.292 HD
ENDBRANCH   4  16
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -0.338  -0.308  -0.007  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        0.356   0.873   0.269  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        1.746   0.872   0.446  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.482  -0.310   0.320  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.804  -1.487   0.010  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.413  -1.481  -0.165  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  N   LIG    1        3.875  -0.230   0.520  0.00  0.00    -0.282 N 
ATOM     25  H   LIG    1        4.231   0.692   0.736  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        4.804  -1.243   0.370  0.00  0.00    +0.248 C 
ATOM     27  O   LIG    1        4.596  -2.379  -0.038  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        6.204  -0.860   0.710  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        7.249  -1.405  -0.047  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        8.572  -1.067   0.241  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.856  -0.196   1.292  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.820   0.334   2.062  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.494   0.001   1.777  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 6