REMARK  Name = BDB042557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.829  -2.357  -0.912  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.263  -1.387  -1.417  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.061  -1.075  -1.117  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.909  -0.212  -1.940  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.852   0.629  -1.077  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -3.536  -0.205  -0.024  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1       -3.016  -1.392   0.342  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.755  -1.988  -0.216  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.766   0.325   0.598  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -5.878  -0.493   0.812  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -7.012   0.060   1.382  0.00  0.00    +0.214 A 
ATOM     12  F   LIG    1       -8.075  -0.732   1.579  0.00  0.00    -0.184 F 
ATOM     13  N   LIG    1       -7.122   1.352   1.749  0.00  0.00    -0.228 NA
ATOM     14  C   LIG    1       -6.042   2.127   1.534  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1       -4.862   1.670   0.967  0.00  0.00    +0.028 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.977  -0.480  -2.409  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.483  -0.745  -2.485  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.236  -0.161  -1.313  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.468   1.196  -1.329  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        3.145   1.760  -2.107  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.139   1.895  -0.349  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1        4.306   3.107  -0.422  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        4.643   1.102   0.797  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.415  -0.283   0.812  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1        4.883  -1.043   1.890  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.572  -0.419   2.934  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        5.788   0.956   2.897  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        6.449   1.543   3.904  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        5.331   1.728   1.839  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        3.690  -0.910  -0.295  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4