REMARK  Name = BDB058943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.440   0.652   0.134  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.968   1.832   0.623  0.00  0.00    +0.172 A 
ATOM      3  O   LIG    1       -3.216   2.003   0.103  0.00  0.00    -0.354 OA
ATOM      4  N   LIG    1       -3.526   0.956  -0.739  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -2.457   0.153  -0.733  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.450  -1.069  -1.530  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -3.162  -2.208  -1.091  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -3.154  -3.369  -1.889  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.448  -3.409  -3.090  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.740  -2.289  -3.515  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.740  -1.123  -2.744  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -0.837   0.223  -3.355  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -3.931  -2.212   0.211  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -3.194  -1.753   1.262  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -5.067  -1.471   0.172  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -4.327  -3.466   0.583  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -1.516   2.884   1.525  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.164   3.251   1.590  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        0.264   4.255   2.464  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -0.655   4.907   3.282  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -2.002   4.560   3.226  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -2.429   3.556   2.352  0.00  0.00    +0.011 A 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  C   LIG    1       -0.131   0.018   0.449  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  N   LIG    1        0.967   0.439  -0.417  0.00  0.00    -0.340 N 
ATOM     25  H   LIG    1        0.662   0.597  -1.378  0.00  0.00    +0.146 HD
BRANCH  24  29
ATOM     26  C   LIG    1        4.770  -1.396  -0.311  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        4.346  -0.675  -1.429  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        3.076  -0.087  -1.443  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        2.192  -0.228  -0.363  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        2.649  -0.919   0.766  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        3.919  -1.511   0.790  0.00  0.00    +0.017 A 
BRANCH  26  33
ATOM     32  O   LIG    1        6.917  -1.943  -1.254  0.00  0.00    -0.245 OA
ATOM     33  C   LIG    1        6.122  -2.003  -0.334  0.00  0.00    +0.337 C 
BRANCH  33  34
ATOM     34  O   LIG    1        6.417  -2.663   0.801  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        7.324  -3.001   0.645  0.00  0.00    +0.295 HD
ENDBRANCH  33  34
ENDBRANCH  26  33
ENDBRANCH  24  29
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8