REMARK  Name = BDB042777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.349   0.607   0.860  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1       -0.645   0.958  -0.267  0.00  0.00    +0.091 C 
ATOM      3  C   LIG    1       -1.447  -0.238  -0.781  0.00  0.00    +0.055 C 
ATOM      4  N   LIG    1       -1.958  -0.158  -1.958  0.00  0.00    -0.279 NA
ATOM      5  C   LIG    1       -2.750  -1.238  -2.548  0.00  0.00    +0.221 C 
ATOM      6  C   LIG    1       -3.029  -2.417  -1.650  0.00  0.00    +0.185 C 
ATOM      7  C   LIG    1       -2.388  -2.469  -0.329  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -2.579  -3.577   0.499  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -1.975  -3.595   1.746  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -2.164  -4.642   2.557  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.176  -2.537   2.171  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -0.946  -1.438   1.336  0.00  0.00    +0.040 A 
ATOM     13  O   LIG    1       -3.757  -3.344  -2.001  0.00  0.00    -0.290 OA
ATOM     14  C   LIG    1       -1.595  -1.407   0.094  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -0.198  -0.367   1.817  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1        0.441  -0.604   2.575  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -1.564   2.110   0.137  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -1.323   3.395  -0.372  0.00  0.00    +0.130 A 
ATOM     19  F   LIG    1       -0.285   3.603  -1.195  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -2.124   4.478  -0.031  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -3.181   4.280   0.843  0.00  0.00    +0.126 A 
ATOM     22  F   LIG    1       -3.958   5.316   1.185  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -3.440   3.025   1.381  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -2.632   1.940   1.034  0.00  0.00    +0.010 A 
ENDBRANCH   2  17
BRANCH   1  29
ATOM     25  C   LIG    1        4.925  -1.263  -0.005  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        4.260  -0.366  -0.947  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1        4.043   0.974  -0.384  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1        2.571   1.360  -0.182  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1        1.780   0.184   0.415  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1        1.867  -1.032  -0.528  0.00  0.00    +0.021 C 
ATOM     31  C   LIG    1        3.045  -0.950  -1.510  0.00  0.00    +0.084 C 
ENDBRANCH   1  29
TORSDOF 2