REMARK  Name = BDB009235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.634  -1.111   2.430  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.427  -1.042   1.505  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        3.343  -0.307   0.327  0.00  0.00    -0.262 N 
ATOM      4  C   LIG    1        4.536  -0.426  -0.474  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1        4.188  -0.355  -1.952  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1        3.518   0.879  -2.252  0.00  0.00    -0.488 OA
ATOM      7  C   LIG    1        2.459   1.131  -1.404  0.00  0.00    +0.142 A 
ATOM      8  C   LIG    1        1.505   2.029  -1.877  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.388   2.332  -1.099  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.215   1.741   0.161  0.00  0.00    -0.040 A 
ATOM     11  C   LIG    1        1.201   0.862   0.643  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        5.129  -1.743  -0.011  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1        2.325   0.554  -0.127  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        4.750  -1.780   1.467  0.00  0.00    +0.098 C 
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -0.988   2.075   1.013  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.319   1.787   0.324  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -2.913   0.415   0.404  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -2.204  -0.694   1.131  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -2.799  -2.080   0.861  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.321  -2.042   0.881  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.857  -1.065  -0.168  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -4.102   0.235  -0.197  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.745   1.356  -0.927  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -5.819   1.221  -1.505  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -4.066   2.544  -0.917  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -4.490   3.324  -1.408  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -2.877   2.781  -0.304  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH  10  15
TORSDOF 2