REMARK  Name = BDB049823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708   0.048   0.893  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1        0.393  -0.535   0.271  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        0.177  -1.244  -0.418  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.630   0.531   2.018  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.439  -0.029  -0.456  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1       -4.031  -0.016  -0.429  0.00  0.00    +0.102 A 
ATOM      7  C   LIG    1       -3.331  -0.039  -1.633  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1       -2.011  -0.010  -1.264  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1       -1.223   0.035  -1.893  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -1.933   0.009   0.109  0.00  0.00    +0.195 A 
ATOM     11  C   LIG    1       -3.951  -0.071  -2.884  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -5.349  -0.087  -2.896  0.00  0.00    +0.003 A 
ATOM     13  N   LIG    1       -3.146   0.021   0.633  0.00  0.00    -0.223 NA
ATOM     14  C   LIG    1       -6.083  -0.067  -1.707  0.00  0.00    +0.015 A 
BRANCH   5  18
ATOM     15  N   LIG    1       -5.590   0.055   1.972  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -4.573   0.105   2.012  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -6.120   0.101   2.829  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1       -6.254  -0.003   0.781  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -7.479  -0.031   0.740  0.00  0.00    -0.270 OA
ENDBRANCH   5  18
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  C   LIG    1        1.665  -0.669   0.988  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        2.613  -1.628   0.251  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        3.599  -0.886  -0.643  0.00  0.00    +0.110 C 
ATOM     23  N   LIG    1        4.415   0.054   0.121  0.00  0.00    -0.294 N 
ATOM     24  C   LIG    1        5.703   0.364  -0.344  0.00  0.00    +0.320 C 
ATOM     25  O   LIG    1        6.104  -0.097  -1.421  0.00  0.00    -0.266 OA
ATOM     26  C   LIG    1        3.824   0.634   1.329  0.00  0.00    +0.110 C 
ATOM     27  C   LIG    1        2.306   0.711   1.226  0.00  0.00    +0.041 C 
BRANCH  24  28
ATOM     28  C   LIG    1        6.584   1.304   0.516  0.00  0.00    +0.470 C 
ATOM     29  F   LIG    1        6.598   0.942   1.832  0.00  0.00    -0.162 F 
ATOM     30  F   LIG    1        7.885   1.334   0.117  0.00  0.00    -0.162 F 
ATOM     31  F   LIG    1        6.142   2.594   0.481  0.00  0.00    -0.162 F 
ENDBRANCH  24  28
ENDBRANCH   2  20
TORSDOF 4