REMARK  Name = BDB045762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.910   1.802   0.158  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.183   0.636  -0.561  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.386  -0.047  -0.347  0.00  0.00    +0.050 A 
ATOM      4  N   LIG    1        2.623  -1.213  -1.084  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        1.941  -1.546  -1.754  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.755  -1.981  -0.977  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        4.793  -1.542  -0.013  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        4.596  -0.370   0.750  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1        5.620  -0.010   1.647  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.781  -0.781   1.773  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        6.937  -1.925   1.004  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1        8.050  -2.658   1.130  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        5.955  -2.316   0.110  0.00  0.00    +0.052 A 
ATOM     14  O   LIG    1        3.896  -2.993  -1.655  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        3.349   0.407   0.576  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        3.058   1.591   1.274  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        1.857   2.282   1.066  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1       -0.390   3.765   0.255  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -0.349   2.574  -0.029  0.00  0.00    +0.244 C 
ATOM     20  N   LIG    1       -1.436   1.869  -0.493  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.444   0.858  -0.430  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.751   2.482  -0.560  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.754   1.556  -1.271  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.754   0.176  -0.734  0.00  0.00    -0.297 NA
ATOM     25  C   LIG    1       -4.580  -0.727  -1.570  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -5.993  -0.960  -1.014  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1       -5.994  -1.537   0.298  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1       -4.818  -1.220   1.055  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1       -4.223   0.144   0.674  0.00  0.00    +0.112 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  19
TORSDOF 4