REMARK  Name = BDB042760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.922   2.487   0.794  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.937   1.761   0.863  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        2.727   0.675  -0.105  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.599  -0.127   0.030  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.352  -1.197  -0.840  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.187  -1.974  -0.743  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1        0.287  -2.892  -1.175  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -0.371  -2.038   0.612  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -0.624  -0.642   1.198  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1        2.233  -1.387  -1.908  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.362  -0.577  -2.043  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        4.204  -0.793  -3.062  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.647   0.191   1.106  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        0.838   1.155   1.958  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        3.627   0.448  -1.145  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        1.974   1.901   1.834  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        2.096   2.653   2.507  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.854   0.026   0.599  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1       -3.120  -0.354   1.074  0.00  0.00    +0.130 A 
ATOM     20  F   LIG    1       -3.212  -1.286   2.034  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -4.291   0.199   0.570  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -4.202   1.149  -0.434  0.00  0.00    +0.126 A 
ATOM     23  F   LIG    1       -5.321   1.691  -0.932  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -2.967   1.544  -0.938  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -1.794   0.982  -0.426  0.00  0.00    +0.010 A 
ENDBRANCH   9  18
TORSDOF 1