REMARK  Name = BDB052828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.295   0.641   0.730  0.00  0.00    +0.041 A 
ATOM      2  N   LIG    1       -0.931   1.510  -0.166  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        0.047   2.378  -0.681  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        1.269   2.077  -0.075  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        2.403   2.861  -0.389  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.298   3.914  -1.299  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.076   4.213  -1.883  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.064   3.465  -1.575  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        1.053   0.979   0.801  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.029   0.318   1.664  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        3.135  -0.269   1.059  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        4.146  -0.879   1.920  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        5.470  -1.131   1.179  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.353  -1.931  -0.052  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.564  -2.908   0.149  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.010  -1.850  -0.651  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.273  -0.525  -0.381  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.849   0.271   2.880  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.307   1.524  -0.519  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1       -3.295   1.458   0.396  0.00  0.00    +0.112 A 
ATOM     21  N   LIG    1       -4.620   1.477   0.032  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1       -5.344   1.438   0.739  0.00  0.00    +0.168 HD
ATOM     23  C   LIG    1       -5.062   1.563  -1.263  0.00  0.00    +0.249 A 
ATOM     24  O   LIG    1       -6.248   1.590  -1.564  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1       -4.001   1.623  -2.295  0.00  0.00    +0.072 A 
ATOM     26  C   LIG    1       -2.713   1.606  -1.924  0.00  0.00    +0.033 A 
ENDBRANCH   2  19
BRANCH   1  27
ATOM     27  C   LIG    1       -0.972  -0.523   1.420  0.00  0.00    +0.090 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -3.474  -2.014   2.176  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.776  -2.254   0.867  0.00  0.00    -0.012 A 
ATOM     30  C   LIG    1       -1.604  -1.556   0.496  0.00  0.00    -0.036 A 
ATOM     31  C   LIG    1       -0.983  -1.887  -0.727  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.537  -2.832  -1.592  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -2.715  -3.479  -1.243  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1       -3.319  -3.191  -0.025  0.00  0.00    +0.127 A 
ATOM     35  F   LIG    1       -4.447  -3.843   0.294  0.00  0.00    -0.205 F 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 4