REMARK  Name = BDB048517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.037   1.381   0.548  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -2.104   0.664  -0.062  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.413   1.126   0.115  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -3.669   2.276   0.868  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.605   2.976   1.450  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -1.286   2.536   1.294  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.467   1.349   0.743  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        0.250   0.825   0.375  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        0.228  -0.079  -0.089  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.657   2.429   1.288  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        4.277  -1.914  -2.037  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1        4.008  -1.086  -0.811  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.856  -0.282  -0.680  0.00  0.00    +0.059 A 
ATOM     14 CL   LIG    1        1.733  -0.221  -2.006  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        2.650   0.477   0.490  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1        3.616   0.452   1.511  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        4.757  -0.335   1.383  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.940  -1.094   0.235  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1        6.047  -1.844   0.139  0.00  0.00    -0.205 F 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   5  20
ATOM     20  N   LIG    1       -2.884   4.182   2.240  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1       -4.038   4.633   2.209  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1       -1.956   4.676   2.895  0.00  0.00    -0.126 OA
ENDBRANCH   5  20
BRANCH   2  23
ATOM     23  N   LIG    1       -1.768  -0.453  -0.867  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1       -1.217  -0.103  -1.656  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.846  -1.319  -1.359  0.00  0.00    +0.116 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.241  -2.551  -2.061  0.00  0.00    +0.096 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.266  -3.459  -2.575  0.00  0.00    -0.329 NA
ATOM     28  H   LIG    1       -2.812  -4.252  -3.029  0.00  0.00    +0.118 HD
ATOM     29  H   LIG    1       -3.795  -3.853  -1.796  0.00  0.00    +0.118 HD
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 7