REMARK  Name = BDB008518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.066   0.235  -1.393  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.202   0.107  -0.972  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.183  -0.005  -1.883  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        0.904  -0.005  -3.234  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.415   0.128  -3.583  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.406   0.253  -2.688  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.012   0.344  -0.379  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1       -1.536   0.293   0.522  0.00  0.00    +0.155 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -4.091   0.543   0.913  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1       -3.409   0.489  -0.330  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -4.188   0.585  -1.495  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -5.579   0.729  -1.443  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.231   0.781  -0.218  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.491   0.688   0.957  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -2.122   0.296   2.292  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -3.328   0.444   2.189  0.00  0.00    +0.339 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -4.102   0.535   3.286  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -3.467   0.458   4.029  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.538  -0.151  -1.493  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        3.114   0.491  -2.027  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.068  -0.385  -0.205  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.412  -0.061   0.044  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        5.019  -0.329   1.286  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        4.261  -0.940   2.292  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        2.939  -1.300   2.050  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        2.356  -1.036   0.807  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.451   0.069   1.534  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        7.076  -0.714   2.458  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.223   0.006   0.413  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.562   1.347   1.990  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7