REMARK  Name = BDB053889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.085  -2.257  -0.168  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.000  -1.101   0.253  0.00  0.00    +0.224 C 
ATOM      3  N   LIG    1        1.172  -0.652   0.884  0.00  0.00    -0.294 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.121  -0.074   0.032  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -2.523  -0.710  -0.103  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -3.612   0.272   0.292  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -4.071  -0.043   1.573  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -5.051   0.703   2.212  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -5.586   1.790   1.531  0.00  0.00    +0.159 A 
ATOM     10  C   LIG    1       -5.140   2.116   0.250  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -5.657   3.174  -0.390  0.00  0.00    -0.202 F 
ATOM     12  F   LIG    1       -6.534   2.531   2.121  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -3.339  -1.223   2.086  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1       -4.148   1.363  -0.380  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -2.709  -1.750   0.908  0.00  0.00    -0.363 OA
ATOM     16  C   LIG    1       -2.746  -1.361  -1.474  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -2.291  -0.495  -2.644  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1       -0.947   0.043  -2.466  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -0.708   0.645  -3.255  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -0.781   0.768  -1.207  0.00  0.00    +0.096 C 
ENDBRANCH   2   4
BRANCH   3  21
ATOM     21  C   LIG    1        1.343   0.658   1.470  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        2.011   0.853   2.812  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        0.545   1.098   2.675  0.00  0.00    +0.024 C 
ENDBRANCH   3  21
BRANCH   3  24
ATOM     24  C   LIG    1        2.368  -1.502   0.779  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.260  -1.092  -0.381  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        4.492  -0.424  -0.223  0.00  0.00    +0.057 A 
ATOM     27 CL   LIG    1        5.083  -0.053   1.365  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        5.258  -0.057  -1.347  0.00  0.00    +0.073 A 
ATOM     29  C   LIG    1        4.780  -0.367  -2.633  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        3.569  -1.029  -2.800  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        2.818  -1.388  -1.685  0.00  0.00    +0.006 A 
BRANCH  28  32
ATOM     32  C   LIG    1        6.576   0.663  -1.207  0.00  0.00    +0.419 C 
ATOM     33  F   LIG    1        7.165   0.940  -2.408  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.505  -0.049  -0.510  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        6.462   1.868  -0.582  0.00  0.00    -0.166 F 
ENDBRANCH  28  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 5