REMARK  Name = BDB009099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.037  -2.171  -0.474  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.835  -1.698   0.577  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.144  -2.172   0.769  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.635  -3.162  -0.089  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.845  -3.641  -1.133  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.553  -3.144  -1.327  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.104  -2.681  -2.472  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.216  -1.884  -1.545  0.00  0.00    +0.252 C 
ATOM      9  N   LIG    1        1.252  -1.617  -0.594  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.505  -0.912   0.093  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.510  -1.129  -1.403  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        3.715  -0.041  -0.533  0.00  0.00    +0.137 A 
ATOM     13  C   LIG    1        4.978   0.606  -0.429  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.028   0.165  -1.271  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        7.286   0.787  -1.214  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        7.530   1.832  -0.326  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.521   2.264   0.524  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.811  -0.898  -2.156  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        5.263   1.657   0.477  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.574  -1.541  -2.215  0.00  0.00    +0.017 A 
BRANCH  12  21
ATOM     21  O   LIG    1        2.654   0.415   0.221  0.00  0.00    -0.505 OA
ATOM     22  H   LIG    1        2.753   1.379   0.315  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -2.996  -1.656   1.905  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.034  -0.133   1.997  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -3.797   0.654   0.976  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.581  -0.035  -0.106  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.561   0.896  -0.828  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -4.908   2.234  -1.151  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.424   2.930   0.122  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -3.745   1.994   1.084  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -2.987   2.623   2.194  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -2.922   3.841   2.326  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -2.370   1.762   3.061  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -1.852   2.172   3.831  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -2.369   0.406   2.976  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5