REMARK  Name = BDB027971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.504   0.805  -1.894  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        4.223   0.514  -1.298  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        3.029   0.440  -1.992  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        2.829   0.595  -3.181  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        1.994   0.126  -1.000  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        2.602   0.028   0.248  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1        1.837  -0.247   1.362  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        0.454  -0.427   1.192  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -0.165  -0.359  -0.077  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.635  -0.047  -1.187  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        4.068   0.271   0.124  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -1.547  -0.462  -0.284  0.00  0.00    -0.333 N 
ATOM     13  H   LIG    1       -1.724  -0.885  -1.199  0.00  0.00    +0.147 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.448  -0.994   0.751  0.00  0.00    +0.158 C 
ATOM     15  C   LIG    1       -3.674  -1.623   0.065  0.00  0.00    +0.239 C 
ATOM     16  O   LIG    1       -3.628  -2.727  -0.479  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -4.811  -0.858  -0.016  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.583  -1.268  -0.524  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -4.948   0.469   0.298  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -5.965   1.086  -0.005  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -3.774   1.131   0.974  0.00  0.00    +0.098 C 
ATOM     22  C   LIG    1       -2.910   0.112   1.702  0.00  0.00    +0.041 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
TORSDOF 2