REMARK  Name = BDB017267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.068  -0.905  -1.815  0.00  0.00    +0.141 C 
ATOM      2  O   LIG    1       -0.193  -1.471  -2.881  0.00  0.00    -0.297 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.427  -0.236  -1.621  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1        2.196  -0.846  -0.449  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1        3.618  -0.269  -0.353  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1        3.659   1.264  -0.583  0.00  0.00    -0.007 C 
ATOM      7  C   LIG    1        4.641   1.985   0.356  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        5.950   1.202   0.491  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1        5.715  -0.195   1.089  0.00  0.00    +0.018 C 
ATOM     10  C   LIG    1        2.268   1.907  -0.504  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1        4.268  -0.677   0.975  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1        1.298   1.289  -1.512  0.00  0.00    +0.011 C 
BRANCH   8  13
ATOM     13  C   LIG    1        6.926   1.957   1.298  0.00  0.00    +0.066 C 
ATOM     14  N   LIG    1        7.694   2.552   1.932  0.00  0.00    -0.196 NA
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  C   LIG    1       -0.960  -2.264   1.452  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -1.120  -2.284  -0.072  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -0.944  -0.868  -0.673  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1       -2.261  -0.274  -1.210  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -3.329  -0.484  -0.222  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.653  -1.923  -0.132  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.483  -2.861  -0.470  0.00  0.00    +0.019 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.523   0.349  -0.483  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -4.265   1.838  -0.187  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -4.342   1.958   1.334  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -5.259   0.822   1.787  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -5.681   0.107   0.507  0.00  0.00    +0.019 C 
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 4