REMARK  Name = BDB012851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.961   0.479   0.720  0.00  0.00    +0.056 C 
ATOM      2  C   LIG    1        1.262   1.054  -0.511  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.126   0.622  -0.385  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.070   1.052  -1.299  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -0.728   1.740  -2.262  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.263  -0.380   0.661  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        1.165  -0.802   0.985  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        7.683  -0.097   0.361  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1        6.192  -0.006   0.428  0.00  0.00    -0.032 A 
ATOM     10  C   LIG    1        5.561   0.783   1.380  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        4.220   0.933   1.474  0.00  0.00    -0.259 NA
ATOM     12  C   LIG    1        3.445   0.283   0.574  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.996  -0.520  -0.423  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.381  -0.658  -0.498  0.00  0.00    +0.006 A 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1       -2.455   0.680  -1.138  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -3.333   0.832  -2.181  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1       -3.116   1.197  -3.103  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -4.588   0.438  -1.915  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -4.543   0.066  -0.632  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1       -3.236   0.209  -0.101  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.787  -0.416   0.059  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -5.636  -1.857   0.549  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -6.182   0.505   1.215  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 3