REMARK  Name = BDB048533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099   0.851   0.187  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.313   0.871   0.118  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -0.998   2.082  -0.011  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -0.304   3.303  -0.089  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        1.099   3.270  -0.029  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.792   2.063   0.108  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.963  -2.916   0.667  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        4.454  -1.715   0.010  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        4.181  -0.629   0.975  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.711  -0.501   1.435  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        1.756  -0.404   0.301  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        2.320  -0.828  -1.007  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        3.262  -2.034  -0.808  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1       -1.029   4.580  -0.233  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -0.731   5.682   0.577  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -1.438   6.862   0.401  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -2.411   7.025  -0.518  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -2.694   5.955  -1.289  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -2.043   4.735  -1.186  0.00  0.00    +0.028 A 
ENDBRANCH   4  14
BRANCH   2  20
ATOM     20  N   LIG    1       -0.944  -0.388   0.212  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1       -0.264  -1.134   0.328  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -2.279  -0.690   0.073  0.00  0.00    +0.248 C 
ATOM     23  O   LIG    1       -3.174   0.088  -0.236  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -2.624  -2.127   0.282  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -3.720  -2.657  -0.419  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -4.071  -4.003  -0.286  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -3.362  -4.783   0.639  0.00  0.00    +0.144 A 
ATOM     28  F   LIG    1       -3.716  -6.063   0.834  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -2.285  -4.269   1.356  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -1.910  -2.938   1.177  0.00  0.00    +0.016 A 
BRANCH  26  31
ATOM     31  N   LIG    1       -5.235  -4.493  -0.899  0.00  0.00    -0.356 N 
ATOM     32  H   LIG    1       -5.478  -4.040  -1.774  0.00  0.00    +0.142 HD
ATOM     33  H   LIG    1       -5.262  -5.509  -0.950  0.00  0.00    +0.142 HD
ENDBRANCH  26  31
ENDBRANCH  22  24
ENDBRANCH   2  20
TORSDOF 5