REMARK  Name = BDB042742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.479  -0.966  -0.904  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.510   0.587  -0.834  0.00  0.00    +0.092 C 
ATOM      3  C   LIG    1       -0.721   1.161  -0.128  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -1.968   0.381  -0.219  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.131   0.933   0.309  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -3.052   2.239   0.975  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -1.811   2.827   1.003  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -1.739   3.744   1.433  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -4.043   2.758   1.474  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -4.345   0.256   0.202  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -4.368  -0.966  -0.453  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.528  -1.622  -0.584  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.204  -1.528  -0.977  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -1.974  -0.876  -0.835  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1       -0.674   2.331   0.442  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1       -0.828  -1.438  -1.392  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1       -0.881  -2.440  -1.560  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.875   1.133  -0.403  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        2.926   1.307  -1.326  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1        2.753   0.943  -3.009  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        4.180   1.775  -0.913  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.414   2.072   0.427  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.396   1.898   1.357  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.144   1.431   0.947  0.00  0.00    +0.006 A 
ENDBRANCH   2  18
BRANCH   1  26
ATOM     25  C   LIG    1        1.127  -3.251   0.047  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        0.953  -1.755   0.357  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        0.089  -1.606   1.611  0.00  0.00    +0.009 C 
ENDBRANCH   1  26
TORSDOF 2