REMARK  Name = BDB007294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.376   2.479   1.064  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        2.892   1.136   1.407  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1        2.190   0.478   0.341  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1        2.712  -0.791   0.099  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        2.255  -1.658  -0.625  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        3.907  -0.939   0.934  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        4.856  -1.945   1.070  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        5.873  -1.725   2.023  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.923  -0.554   2.795  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.957   0.435   2.632  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        3.953   0.240   1.693  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.778   0.827   0.151  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -0.157  -0.024   1.006  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -1.614   0.393   0.797  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1       -2.029   0.342  -0.617  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -1.122   1.159  -1.452  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        0.343   0.748  -1.309  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.453   0.734  -0.820  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.446   0.000   0.109  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1       -5.904   0.434  -0.088  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -6.173   1.048  -1.448  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1       -5.853   2.368  -1.419  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1       -7.497   0.981  -1.725  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1       -5.377   0.373  -2.540  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -3.870   0.491  -2.299  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  26
ATOM     26  C   LIG    1        4.935  -3.229   0.318  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1        5.810  -4.051   0.576  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1        4.044  -3.501  -0.671  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        3.216  -2.938  -0.862  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        4.087  -4.412  -1.105  0.00  0.00    +0.145 HD
ENDBRANCH   7  26
TORSDOF 3