REMARK  Name = BDB015094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.687   1.772   1.893  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.517   1.085   1.003  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        3.863   1.461   0.825  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        4.354   2.548   1.567  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        3.531   3.236   2.458  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.203   2.847   2.618  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.733   0.735  -0.114  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        4.890  -0.660  -0.023  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        5.713  -1.369  -0.917  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        6.402  -0.661  -1.910  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        6.255   0.720  -2.011  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1        7.100   1.579  -3.240  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        5.429   1.414  -1.126  0.00  0.00    +0.028 A 
BRANCH   9  14
ATOM     14  C   LIG    1        5.883  -2.861  -0.780  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        4.769  -3.482  -0.301  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        6.893  -3.190   0.070  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.171  -3.476  -1.961  0.00  0.00    -0.166 F 
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  O   LIG    1        0.370   1.497   2.142  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.222   0.418   1.402  0.00  0.00    +0.261 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.691   0.319   1.837  0.00  0.00    +0.166 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.743   0.060   3.251  0.00  0.00    -0.387 OA
ATOM     22  H   LIG    1       -1.130   0.702   3.658  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.442  -0.813   1.107  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.409  -0.729  -0.365  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -3.243   0.367  -0.899  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -4.733   0.102  -0.898  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.234  -1.212  -0.875  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.618  -1.431  -0.915  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.499  -0.353  -0.999  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.006   0.949  -1.040  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.291  -2.381  -0.741  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -5.630   1.176  -0.994  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -2.826  -1.994  -0.997  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8