REMARK  Name = BDB060369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.568   0.420  -1.697  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.223   0.398  -1.339  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1        0.343   1.345  -0.375  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.575   0.743   0.191  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        2.325  -0.269  -0.366  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.953  -0.864  -1.613  0.00  0.00    +0.088 A 
ATOM      7  N   LIG    1        2.599  -1.812  -2.213  0.00  0.00    -0.174 NA
ATOM      8  N   LIG    1        3.728  -2.450  -1.795  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        4.027  -3.169  -2.451  0.00  0.00    +0.192 HD
ATOM     10  C   LIG    1        4.584  -2.390  -0.714  0.00  0.00    +0.273 A 
ATOM     11  C   LIG    1        4.444  -1.461   0.418  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        5.379  -1.482   1.469  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        5.251  -0.609   2.542  0.00  0.00    +0.126 A 
ATOM     14  C   LIG    1        4.209   0.314   2.627  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        3.288   0.324   1.576  0.00  0.00    +0.051 A 
ATOM     16  F   LIG    1        6.157  -0.651   3.529  0.00  0.00    -0.205 F 
ATOM     17  O   LIG    1        5.541  -3.171  -0.697  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        3.396  -0.545   0.485  0.00  0.00    +0.021 A 
ATOM     19  N   LIG    1        2.165   1.101   1.373  0.00  0.00    -0.356 N 
ATOM     20  H   LIG    1        1.838   1.815   2.011  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1        0.704  -0.264  -2.281  0.00  0.00    +0.166 C 
ATOM     22  O   LIG    1       -1.991  -0.073  -2.737  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  28
ATOM     23  C   LIG    1       -3.012   1.597   1.735  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -2.864   0.590   0.614  0.00  0.00    -0.017 C 
ATOM     25  C   LIG    1       -3.919   0.565  -0.501  0.00  0.00    -0.017 C 
ATOM     26  C   LIG    1       -4.359  -0.766  -1.077  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -5.059   1.564  -0.482  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1       -2.518   1.117  -0.780  0.00  0.00    +0.088 C 
ATOM     29  C   LIG    1       -2.272  -0.717   1.101  0.00  0.00    +0.012 C 
ENDBRANCH   1  28
TORSDOF 1