REMARK  Name = BDB042764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.223  -1.583   0.430  0.00  0.00    +0.061 C 
ATOM      2  C   LIG    1       -1.256  -1.145  -0.600  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -2.145  -0.027  -0.252  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -3.035   0.429  -1.217  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -3.087  -0.270  -2.508  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -2.234  -1.339  -2.653  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -2.246  -1.827  -3.543  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1       -3.862   0.086  -3.389  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -3.858   1.521  -0.950  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -3.759   2.142   0.288  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -4.527   3.207   0.554  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.874   1.679   1.264  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -2.080   0.555   1.020  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -1.149   0.130   1.982  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1       -1.440   0.363   2.932  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1       -1.320  -1.770  -1.737  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -0.737  -1.265   1.838  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        3.002   2.267   0.065  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        2.592   0.975  -0.475  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1        1.369   0.484   0.189  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        1.212  -1.055   0.158  0.00  0.00    +0.014 C 
ATOM     22  C   LIG    1        1.811  -1.610  -1.142  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        3.293  -1.239  -1.263  0.00  0.00    +0.016 C 
ATOM     24  C   LIG    1        3.677   0.000  -0.446  0.00  0.00    +0.084 C 
ENDBRANCH   1  21
TORSDOF 1