REMARK  Name = BDB008469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.959   0.156  -0.377  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1        0.387  -1.046   0.270  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -1.086  -0.871   0.378  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.853  -0.058  -0.425  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -1.248   0.703  -1.472  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1       -1.878   1.501  -2.274  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1       -3.209   1.798  -2.279  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -3.449   2.468  -3.006  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -4.334   1.424  -1.570  0.00  0.00    +0.273 A 
ATOM     10  C   LIG    1       -4.347   0.469  -0.450  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -5.551   0.156   0.205  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -5.562  -0.740   1.268  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1       -4.401  -1.360   1.729  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -3.211  -1.040   1.068  0.00  0.00    +0.051 A 
ATOM     15  F   LIG    1       -6.725  -1.019   1.873  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1       -5.412   1.929  -1.901  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.178  -0.144  -0.006  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1       -1.916  -1.470   1.285  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1       -1.635  -2.116   2.012  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1        0.266   0.473  -1.665  0.00  0.00    +0.142 C 
ENDROOT
BRANCH   1  21
ATOM     21  C   LIG    1        2.408  -0.001  -0.631  0.00  0.00    +0.100 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.275  -0.019   0.654  0.00  0.00    +0.099 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.319   0.929  -0.283  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        4.717  -0.222   0.396  0.00  0.00    -0.307 NA
ATOM     25  C   LIG    1        5.418  -0.461   1.662  0.00  0.00    +0.104 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 3