REMARK  Name = BDB027886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.235   1.408   0.213  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        1.587   0.999   0.336  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1        2.488   1.831   1.026  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.067   3.034   1.593  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.738   3.425   1.480  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.172   2.615   0.800  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.079  -0.266  -0.229  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        2.392  -0.369  -1.593  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.840  -1.576  -2.133  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.983  -2.695  -1.314  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        2.683  -2.607   0.044  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.235  -1.400   0.584  0.00  0.00    +0.008 A 
ENDBRANCH   2   7
BRANCH   1  13
ATOM     13  N   LIG    1       -0.744   0.585  -0.417  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -0.242  -0.024  -1.065  0.00  0.00    +0.147 HD
BRANCH  13  21
ATOM     15  O   LIG    1       -5.271  -0.351  -1.121  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.125  -0.291  -0.680  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -3.805   0.579   0.328  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.588   1.082   0.720  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -2.694   0.507   1.136  0.00  0.00    +0.239 C 
ATOM     20  O   LIG    1       -2.705   1.017   2.255  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -1.486  -0.247   0.564  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1       -2.005  -1.508  -0.133  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.012  -1.154  -1.220  0.00  0.00    +0.098 C 
ENDBRANCH  13  21
ENDBRANCH   1  13
TORSDOF 3