REMARK  Name = BDB040786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.602  -3.294   1.083  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1        0.771  -2.045   1.315  0.00  0.00    +0.065 C 
ATOM      3  C   LIG    1       -0.625  -2.332   1.939  0.00  0.00    +0.132 C 
ATOM      4  N   LIG    1       -1.149  -1.327   1.052  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -0.048  -1.466   0.132  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.502  -1.102   0.726  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.526  -1.477   1.602  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -4.862  -1.241   1.276  0.00  0.00    +0.132 A 
ATOM      9  F   LIG    1       -5.809  -1.615   2.149  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -5.228  -0.623   0.081  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.199  -0.239  -0.778  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -4.493   0.376  -1.934  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.858  -0.467  -0.468  0.00  0.00    +0.062 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -6.683  -0.387  -0.256  0.00  0.00    +0.111 C 
ATOM     15  C   LIG    1       -7.087  -1.038  -1.577  0.00  0.00    +0.227 C 
ATOM     16  O   LIG    1       -6.619  -2.102  -1.979  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1       -8.084  -0.412  -2.287  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1       -8.361  -0.865  -3.147  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1       -8.839   0.669  -1.910  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -9.793   1.044  -2.586  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -8.484   1.310  -0.591  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -7.013   1.110  -0.265  0.00  0.00    +0.027 C 
ENDBRANCH  10  14
ENDBRANCH   4   6
BRANCH   2  23
ATOM     23  N   LIG    1        1.494  -1.032   2.067  0.00  0.00    -0.289 N 
ATOM     24  H   LIG    1        0.888  -0.492   2.681  0.00  0.00    +0.151 HD
BRANCH  23  25
ATOM     25  C   LIG    1        2.509  -0.289   1.584  0.00  0.00    +0.308 A 
ATOM     26  O   LIG    1        3.160  -0.713   0.461  0.00  0.00    -0.409 OA
ATOM     27  C   LIG    1        4.089   0.278   0.277  0.00  0.00    +0.222 A 
ATOM     28  N   LIG    1        4.005   1.220   1.192  0.00  0.00    -0.111 NA
ATOM     29  N   LIG    1        2.979   0.852   2.037  0.00  0.00    -0.093 NA
BRANCH  27  30
ATOM     30  C   LIG    1        5.124   0.268  -0.891  0.00  0.00    +0.078 C 
ATOM     31  C   LIG    1        5.478   1.665  -1.469  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1        6.781   1.587  -0.719  0.00  0.00    -0.028 C 
ATOM     33  C   LIG    1        7.019   2.518   0.451  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        8.509   2.527   0.025  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1        8.057   2.050  -1.379  0.00  0.00    +0.007 C 
ATOM     36  C   LIG    1        6.600   0.114  -0.433  0.00  0.00    +0.020 C 
ENDBRANCH  27  30
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 5