REMARK  Name = BDB017308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.031   0.160   1.258  0.00  0.00    +0.181 C 
ATOM      2  O   LIG    1        0.239   0.504   2.424  0.00  0.00    -0.290 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.928  -0.028  -1.561  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        4.691  -0.503  -2.005  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.531  -0.359  -1.225  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.621   0.278   0.029  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.463   0.425   0.811  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.218  -0.047   0.365  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.140  -0.684  -0.877  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.867   0.752   0.468  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.287  -0.836  -1.663  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.012   0.600  -0.321  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.248   0.219  -2.022  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.965  -0.241  -2.428  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.382  -0.105   0.712  0.00  0.00    +0.142 C 
ATOM     16  N   LIG    1       -2.409   0.859   1.202  0.00  0.00    -0.290 NA
ATOM     17  C   LIG    1       -2.984   0.416   2.476  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1       -3.639  -0.991   2.381  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1       -3.150  -1.892   1.308  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -1.722  -1.588   1.064  0.00  0.00    +0.111 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -3.938  -1.698   0.079  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -5.318  -2.397   0.231  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -5.123  -2.913  -1.210  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -3.606  -2.814  -0.950  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
BRANCH  16  25
ATOM     25  C   LIG    1       -2.028   2.268   1.210  0.00  0.00    +0.088 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.761   2.749  -0.188  0.00  0.00    +0.003 C 
ATOM     27  C   LIG    1       -0.359   3.031  -0.669  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -1.303   4.170  -0.410  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  16  25
ENDBRANCH   1  15
TORSDOF 6