REMARK  Name = BDB042725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414   1.246  -0.121  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1       -0.522  -0.242  -0.555  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1        0.786  -1.002  -0.316  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        2.025  -0.215  -0.244  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        3.225  -0.893  -0.053  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        3.194  -2.356   0.083  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1        1.960  -2.946  -0.040  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        1.915  -3.958   0.043  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1        4.221  -2.995   0.281  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        4.432  -0.196  -0.025  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1        4.410   1.177  -0.218  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        5.561   1.861  -0.221  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.211   1.860  -0.424  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        1.991   1.173  -0.403  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1        0.777  -2.303  -0.245  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1        0.801   1.863  -0.688  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1        0.886   2.852  -0.453  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -1.733  -0.959   0.046  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -1.883  -1.247   1.416  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -0.692  -0.830   2.598  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.030  -1.901   1.884  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.038  -2.280   1.001  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.903  -2.012  -0.357  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.763  -1.361  -0.830  0.00  0.00    +0.006 A 
ENDBRANCH   2  18
BRANCH   1  26
ATOM     25  C   LIG    1       -1.676   3.484  -0.051  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -1.640   2.061  -0.599  0.00  0.00    +0.020 C 
ENDBRANCH   1  26
TORSDOF 2