REMARK  Name = BDB030603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.713   1.391   0.482  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.463   0.877   0.793  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.657   1.783   0.979  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        1.829   0.895   1.243  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        2.319  -0.092   0.203  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        1.347  -0.512   1.286  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.129  -0.522   1.039  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -1.869   2.604   0.317  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.708  -0.563   0.242  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        4.846   0.356   0.039  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1        5.923  -0.690  -0.193  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1        7.233  -0.318   0.495  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1        6.156  -0.969  -1.679  0.00  0.00    +0.058 C 
ATOM     14  O   LIG    1        5.413  -1.890   0.422  0.00  0.00    -0.387 OA
ATOM     15  N   LIG    1        3.999  -1.799   0.465  0.00  0.00    -0.093 NA
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1       -4.886  -0.293  -0.005  0.00  0.00    -0.325 N 
ATOM     17  C   LIG    1       -4.138   0.849  -0.007  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -2.855   0.469   0.352  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1       -2.837  -0.899   0.570  0.00  0.00    -0.231 NA
ATOM     20  C   LIG    1       -4.059  -1.322   0.346  0.00  0.00    +0.200 A 
BRANCH  16  22
ATOM     21  C   LIG    1       -7.157   0.505   0.570  0.00  0.00    +0.040 C 
ATOM     22  C   LIG    1       -6.306  -0.419  -0.302  0.00  0.00    +0.189 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.590  -0.215  -1.781  0.00  0.00    +0.410 C 
ATOM     24  F   LIG    1       -7.895  -0.467  -2.049  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1       -5.863  -1.057  -2.548  0.00  0.00    -0.168 F 
ATOM     26  F   LIG    1       -6.335   1.047  -2.187  0.00  0.00    -0.168 F 
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 4