REMARK  Name = BDB056596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.230  -0.379  -0.171  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -1.020  -1.560  -0.793  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.238  -1.962  -1.106  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        1.339  -1.169  -0.780  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.110   0.039  -0.129  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        2.334   0.625   0.089  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        2.477   1.513   0.550  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        3.333  -0.169  -0.410  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        2.747  -1.289  -0.955  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -0.178   0.466   0.195  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        4.840   0.158  -0.356  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        5.402   1.282   0.195  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1        6.757   1.152   0.020  0.00  0.00    -0.211 N 
ATOM     14  N   LIG    1        7.101   0.002  -0.616  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        5.926  -0.596  -0.839  0.00  0.00    +0.144 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.773   2.108   0.446  0.00  0.00    +0.464 C 
ATOM     17  F   LIG    1        7.574   3.322  -0.138  0.00  0.00    -0.183 F 
ATOM     18  F   LIG    1        7.714   2.315   1.790  0.00  0.00    -0.183 F 
ENDBRANCH  13  16
ENDBRANCH   8  11
BRANCH   1  19
ATOM     19  N   LIG    1       -2.536   0.047   0.166  0.00  0.00    -0.297 N 
ATOM     20  H   LIG    1       -2.682   1.013  -0.119  0.00  0.00    +0.154 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -4.951   0.089  -0.163  0.00  0.00    +0.141 A 
ATOM     22  C   LIG    1       -3.762  -0.654   0.032  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1       -3.853  -2.042   0.190  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -5.086  -2.691   0.111  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -6.247  -1.956  -0.108  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.183  -0.568  -0.241  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -5.943   2.238  -0.458  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.773   1.450  -0.278  0.00  0.00    -0.493 OA
ENDBRANCH  21  28
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 5