REMARK  Name = BDB060794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.064  -0.466   0.107  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.354  -0.645  -0.493  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -2.533   0.067   0.121  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.362  -0.855   0.765  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -4.513  -0.494   1.436  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -4.857   0.858   1.436  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.067   1.796   0.752  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1       -2.898  -2.144   0.565  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -3.367  -2.987   0.862  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -2.906   1.401   0.078  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.770  -2.150  -0.240  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1       -1.212  -3.149  -0.666  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -1.222  -0.386  -1.940  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1       -1.911  -0.919  -2.473  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        0.163  -0.800  -2.312  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1        1.013  -0.325  -1.111  0.00  0.00    +0.059 C 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        2.331  -1.073  -0.921  0.00  0.00    -0.028 A 
ATOM     18  C   LIG    1        3.572  -0.422  -0.776  0.00  0.00    +0.021 A 
ATOM     19 BR   LIG    1        3.769   1.469  -0.793  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        4.753  -1.157  -0.601  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.722  -2.547  -0.558  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.509  -3.210  -0.687  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.329  -2.483  -0.863  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH   1  27
ATOM     24  C   LIG    1        0.682   3.410   3.480  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1        0.485   2.149   2.725  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        0.414   1.933   1.322  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1        0.218   0.570   1.181  0.00  0.00    +0.174 A 
ATOM     28  O   LIG    1        0.164   0.028   2.438  0.00  0.00    -0.357 OA
ATOM     29  N   LIG    1        0.332   1.001   3.392  0.00  0.00    -0.081 NA
BRANCH  26  30
ATOM     30  N   LIG    1        0.516   2.932   0.308  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1        0.031   2.675  -0.797  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1        1.063   3.996   0.621  0.00  0.00    -0.126 OA
ENDBRANCH  26  30
ENDBRANCH   1  27
BRANCH  15  33
ATOM     33  C   LIG    1        0.699  -0.256  -3.654  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        0.755   1.092  -3.679  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        1.940  -0.725  -3.914  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1       -0.098  -0.655  -4.676  0.00  0.00    -0.169 F 
ENDBRANCH  15  33
TORSDOF 4