REMARK  Name = BDB006650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.799  -0.150  -1.892  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.807  -1.104  -1.343  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.476  -0.874  -0.975  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.414   0.146  -0.904  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.735  -0.667  -0.365  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.346  -2.024  -0.135  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.995  -2.965   0.287  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.011  -2.073  -0.532  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -2.019  -2.955  -0.617  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.141  -2.393  -1.128  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        2.014  -0.129  -0.190  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.322   1.136  -0.541  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.585   1.682  -0.373  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        3.804   3.061  -0.783  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.645   0.964   0.173  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.776   1.414   0.332  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.329  -0.439   0.578  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.445  -1.232   1.180  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        3.087  -0.919   0.395  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.940   1.227   0.021  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -1.472   2.408  -0.532  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1       -1.981   3.434   0.283  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1       -1.944   3.276   1.674  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -1.424   2.112   2.238  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -0.930   1.095   1.420  0.00  0.00    +0.006 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -2.530   4.695  -0.340  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1       -3.294   4.443  -1.440  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -3.312   5.425   0.500  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -1.541   5.532  -0.759  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH   4  20
BRANCH   9  30
ATOM     30  C   LIG    1       -1.938  -4.377  -0.239  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -1.761  -4.816   1.196  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -3.057  -5.082   0.491  0.00  0.00    +0.029 C 
ENDBRANCH   9  30
TORSDOF 4