REMARK  Name = BDB023078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.162  -0.416   1.637  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.130   1.051   1.313  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.637   1.109   1.462  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.096  -0.269   0.970  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -1.004  -1.181   1.256  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.643  -1.477  -0.634  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        4.824  -0.717   0.022  0.00  0.00    +0.206 A 
ATOM      8  C   LIG    1        3.453  -1.153   0.200  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1        2.712  -2.275  -0.191  0.00  0.00    +0.154 A 
ATOM     10  C   LIG    1        1.423  -2.147   0.277  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1        1.339  -0.941   0.948  0.00  0.00    -0.302 N 
ATOM     12  F   LIG    1        3.163  -3.318  -0.894  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1        2.577  -0.359   0.903  0.00  0.00    +0.128 A 
ATOM     14  N   LIG    1        2.966   0.815   1.432  0.00  0.00    -0.332 N 
ATOM     15  H   LIG    1        2.332   1.473   1.894  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1        4.274   1.184   1.214  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1        5.178   0.512   0.572  0.00  0.00    -0.215 NA
BRANCH   6  19
ATOM     18  C   LIG    1        7.768  -1.786  -1.433  0.00  0.00    +0.313 C 
ATOM     19  O   LIG    1        6.923  -0.901  -0.712  0.00  0.00    -0.395 OA
ENDBRANCH   6  19
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        0.526   1.955   2.217  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.101   2.052   2.969  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -1.910   1.263   2.870  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -2.876   1.354   2.973  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.436  -0.339  -0.551  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -2.789  -1.777  -0.975  0.00  0.00    +0.049 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.594   0.599  -0.909  0.00  0.00    -0.012 A 
ATOM     27  C   LIG    1       -4.858   0.448  -0.307  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -5.920   1.307  -0.622  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1       -7.426   1.042   0.184  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -5.737   2.334  -1.550  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       -6.997   3.432  -1.982  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -4.493   2.494  -2.161  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -3.435   1.636  -1.845  0.00  0.00    +0.008 A 
ENDBRANCH  24  26
BRANCH  24  34
ATOM     34  O   LIG    1       -1.267   0.042  -1.292  0.00  0.00    -0.382 OA
ATOM     35  H   LIG    1       -0.665  -0.726  -1.310  0.00  0.00    +0.211 HD
ENDBRANCH  24  34
ENDBRANCH   4  24
TORSDOF 7