REMARK  Name = BDB017263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.421  -1.894  -1.014  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.443  -2.653  -1.982  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.611  -1.023  -0.804  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.121  -0.761   0.472  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        3.248   0.063   0.634  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        3.873   0.620  -0.507  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        4.999   1.444  -0.344  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        5.505   1.718   0.932  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        4.888   1.165   2.056  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        3.361   0.334  -1.782  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.768   0.344   1.907  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.241  -0.486  -1.930  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1        6.654   2.562   1.083  0.00  0.00    +0.099 C 
ATOM     14  N   LIG    1        7.583   3.246   1.208  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  C   LIG    1       -2.770  -3.175   0.777  0.00  0.00    +0.008 C 
ATOM     16  C   LIG    1       -1.884  -2.809  -0.421  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -0.737  -1.852  -0.003  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1       -1.264  -0.420   0.214  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -1.995   0.079  -0.952  0.00  0.00    -0.301 NA
ATOM     20  C   LIG    1       -3.152  -0.758  -1.278  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1       -2.720  -2.198  -1.559  0.00  0.00    +0.019 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.313   1.507  -0.878  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.197   1.904   0.268  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -2.621   2.327   1.597  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.250   3.351   0.697  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   1  17
TORSDOF 5