REMARK  Name = BDB027565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.567   0.246   2.405  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.535   0.602   1.658  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.795   1.123   2.199  0.00  0.00    +0.132 C 
ATOM      4  C   LIG    1       -1.639   2.292   1.216  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -0.587   1.460   0.468  0.00  0.00    +0.132 C 
ATOM      6  O   LIG    1        0.547   0.151   3.629  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.259  -0.574   0.354  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        3.035  -0.914  -0.238  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.825  -0.652   0.415  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.829  -0.038   1.671  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        3.047   0.279   2.278  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        4.255   0.018   1.619  0.00  0.00    +0.024 A 
BRANCH   7  14
ATOM     13  C   LIG    1        6.727  -0.571  -0.025  0.00  0.00    +0.241 C 
ATOM     14  N   LIG    1        5.430  -0.873  -0.371  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1        5.292  -1.316  -1.269  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        7.112   0.080   0.939  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1        7.663  -2.191  -1.703  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        7.744  -1.052  -1.002  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  N   LIG    1       -2.804   2.672   0.477  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -3.341   3.436   0.873  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.724   1.845  -0.165  0.00  0.00    +0.216 A 
ATOM     22  N   LIG    1       -3.386   0.605  -0.539  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1       -4.314  -0.151  -1.142  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1       -5.606   0.313  -1.392  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -6.565  -0.500  -2.029  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -6.227  -1.793  -2.418  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.942  -2.268  -2.173  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.851   1.607  -0.966  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -4.003  -1.446  -1.540  0.00  0.00    +0.028 A 
ATOM     30  N   LIG    1       -4.936   2.382  -0.354  0.00  0.00    -0.222 NA
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 5