REMARK  Name = BDB032396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.342   0.011  -0.541  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1       -0.129   0.983  -1.528  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.887   1.924  -1.380  0.00  0.00    +0.128 A 
ATOM      4  F   LIG    1        1.068   2.834  -2.348  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1        1.717   1.929  -0.258  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.517   0.948   0.722  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        0.500  -0.003   0.580  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.414  -1.035  -0.706  0.00  0.00    +0.195 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -2.610  -0.414  -1.177  0.00  0.00    -0.372 OA
BRANCH   9  17
ATOM     10  C   LIG    1       -7.795  -1.287  -0.378  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1       -6.631  -0.534  -0.846  0.00  0.00    -0.296 NA
ATOM     12  C   LIG    1       -5.566  -0.354   0.189  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1       -5.150   1.146   0.176  0.00  0.00    +0.184 C 
ATOM     14  O   LIG    1       -5.845   1.407   1.420  0.00  0.00    -0.376 OA
ATOM     15  C   LIG    1       -6.093  -0.004   1.604  0.00  0.00    +0.184 C 
ATOM     16  C   LIG    1       -4.442  -1.379   0.122  0.00  0.00    +0.058 C 
ATOM     17  C   LIG    1       -3.729  -1.304  -1.237  0.00  0.00    +0.122 C 
ATOM     18  C   LIG    1       -4.652  -0.798  -2.350  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -6.097  -1.178  -2.063  0.00  0.00    +0.087 C 
ENDBRANCH   9  17
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  20
ATOM     20  C   LIG    1        2.818   2.949  -0.131  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.023   2.522  -0.841  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        3.810   2.334  -1.819  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.867   1.552  -0.294  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.148   1.459   1.075  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        6.042   0.498   1.591  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        6.707  -0.381   0.715  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        7.595  -1.320   1.284  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1        7.819  -1.429   2.608  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        7.163  -0.571   3.415  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        6.452  -0.263  -0.666  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        6.284   0.397   2.964  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        5.561   0.698  -1.156  0.00  0.00    +0.023 A 
BRANCH  27  33
ATOM     33  N   LIG    1        8.316  -2.225   0.498  0.00  0.00    -0.343 N 
ATOM     34  H   LIG    1        8.876  -1.730  -0.187  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1        8.901  -2.752   1.143  0.00  0.00    +0.144 HD
ENDBRANCH  27  33
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7