REMARK  Name = BDB017271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.744   0.124   1.280  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.521  -0.090   2.471  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.143  -0.053   0.773  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        3.162  -0.269   1.715  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        4.497  -0.444   1.317  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        4.820  -0.404  -0.057  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        6.156  -0.578  -0.457  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        7.164  -0.791   0.491  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        6.841  -0.831   1.849  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        3.798  -0.192  -0.994  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        5.517  -0.658   2.258  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        2.471  -0.019  -0.585  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1        8.522  -0.967   0.068  0.00  0.00    +0.099 C 
ATOM     14  N   LIG    1        9.620  -1.109  -0.280  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     15  N   LIG    1       -2.865   0.697   0.066  0.00  0.00    -0.301 NA
ATOM     16  C   LIG    1       -1.742   0.331   0.950  0.00  0.00    +0.095 C 
ATOM     17  C   LIG    1       -0.359   0.578   0.325  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -0.188   2.064  -0.029  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -1.525   2.779  -0.226  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -2.567   1.833  -0.818  0.00  0.00    +0.084 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.394  -0.466  -0.659  0.00  0.00    +0.088 C 
BRANCH  21  24
ATOM     22  C   LIG    1       -5.735  -2.556  -0.943  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1       -5.835  -1.157  -1.445  0.00  0.00    -0.009 C 
ATOM     24  C   LIG    1       -4.712  -0.145  -1.308  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -5.965  -0.011  -0.475  0.00  0.00    +0.008 C 
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH   1  17
TORSDOF 5