REMARK  Name = BDB042593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.497   2.057   0.032  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -0.869   1.785  -0.003  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.794   2.086   1.092  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1       -2.884   1.019   1.215  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -3.465   0.658  -0.127  0.00  0.00    -0.038 C 
ATOM      6  C   LIG    1       -2.810   0.963  -1.263  0.00  0.00    -0.004 C 
ATOM      7  C   LIG    1       -1.467   1.630  -1.324  0.00  0.00    +0.135 C 
ATOM      8  O   LIG    1        1.172   2.114  -0.997  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.778  -0.011  -0.168  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.910   0.550   0.436  0.00  0.00    +0.131 A 
ATOM     11  F   LIG    1       -5.834   1.739   1.054  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -7.147  -0.092   0.398  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -7.271  -1.319  -0.253  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -6.155  -1.900  -0.865  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.915  -1.247  -0.822  0.00  0.00    +0.030 A 
BRANCH  14  16
ATOM     16  C   LIG    1       -6.279  -3.161  -1.536  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1       -6.382  -4.181  -2.080  0.00  0.00    -0.191 NA
ENDBRANCH  14  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.118   2.293   1.402  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.648   2.336   1.366  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1        4.851  -0.676  -2.447  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.874  -1.420  -1.139  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        4.359  -0.867   0.053  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        4.409  -1.627   1.239  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        3.863  -1.053   2.494  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1        3.328   0.212   2.408  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        2.972   0.583   3.281  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.267   0.962   1.258  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        3.884  -1.670   3.553  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        4.960  -2.910   1.258  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        5.464  -3.437   0.082  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        5.996  -4.667   0.084  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        3.764   0.477   0.110  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        5.426  -2.712  -1.106  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5