REMARK  Name = BDB049496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.092  -0.506  -1.030  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.022   0.371  -0.175  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1        1.132   0.859   0.472  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1        1.047   1.607   1.154  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   3   5
ATOM      5  CA  LIG    1        2.471   0.312   0.226  0.00  0.00    +0.186 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.321   0.664   1.442  0.00  0.00    +0.326 C 
ATOM      7  O   LIG    1        3.206   1.675   2.122  0.00  0.00    -0.249 OA
BRANCH   6   8
ATOM      8  OXT LIG    1        4.254  -0.259   1.740  0.00  0.00    -0.479 OA
ATOM      9  HXT LIG    1        4.713   0.088   2.533  0.00  0.00    +0.295 HD
ENDBRANCH   6   8
ENDBRANCH   5   6
BRANCH   5  10
ATOM     10  C   LIG    1        3.084   0.912  -1.046  0.00  0.00    +0.069 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.316   0.180  -1.525  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        5.591   0.741  -1.362  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        6.725   0.052  -1.797  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.590  -1.198  -2.397  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        7.990  -2.044  -2.932  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        5.330  -1.766  -2.568  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.195  -1.078  -2.133  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.265   1.073   0.211  0.00  0.00    +0.108 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.497   0.160   0.052  0.00  0.00    +0.058 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.495  -0.925   1.131  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -2.102  -2.233   0.801  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.070  -3.235   1.772  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.429  -2.945   3.086  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.817  -1.653   3.431  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.847  -0.648   2.462  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -3.831   0.910  -0.007  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -4.927   0.287  -0.629  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.169   0.922  -0.703  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.337   2.188  -0.151  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.265   2.818   0.478  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.022   2.184   0.553  0.00  0.00    +0.004 A 
ENDBRANCH  19  26
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9