REMARK  Name = BDB042605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.867  -0.920   1.083  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.646  -1.816   1.215  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.588  -1.183   1.252  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -0.778   0.272   1.191  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.177   0.719   1.636  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -3.252   0.009   0.934  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -4.473   0.654   0.789  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -4.653   1.777   1.266  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.971  -1.382   0.552  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -1.803  -1.998   1.335  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1        0.754  -3.040   1.287  0.00  0.00    -0.276 OA
BRANCH   7  12
ATOM     12  C   LIG    1       -5.583  -0.051  -0.013  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1       -5.196  -0.133  -1.502  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -6.402  -0.048  -2.431  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -7.173   1.258  -2.252  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -7.184   1.764  -0.810  0.00  0.00    +0.001 C 
ATOM     17  C   LIG    1       -6.947   0.643   0.196  0.00  0.00    +0.013 C 
ENDBRANCH   7  12
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        3.150  -1.738   0.917  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1        6.422  -0.324  -3.059  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        6.846   0.354  -1.784  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        6.163   0.166  -0.563  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1        6.624   0.836   0.589  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.913   0.641   1.877  0.00  0.00    +0.257 A 
ATOM     24  N   LIG    1        4.823  -0.198   1.853  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1        4.369  -0.330   2.750  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.357  -0.852   0.738  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1        6.273   1.198   2.907  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        7.737   1.679   0.545  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        8.395   1.854  -0.659  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        9.463   2.659  -0.718  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        4.984  -0.705  -0.441  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1        7.965   1.206  -1.814  0.00  0.00    +0.042 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 4