REMARK  Name = BDB008859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.294   1.981   0.948  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.793   2.143   0.083  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.073   1.728   0.478  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.241   1.166   1.753  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.154   1.024   2.620  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.116   1.435   2.222  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.755   3.627   0.204  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.629   2.444   0.510  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.670   1.524   0.471  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        2.485   0.065   0.515  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        3.618  -0.703  -0.193  0.00  0.00    +0.124 C 
ATOM     12  N   LIG    1        4.920  -0.333   0.389  0.00  0.00    -0.326 N 
ATOM     13  C   LIG    1        5.141   1.108   0.641  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1        4.006   1.999   0.103  0.00  0.00    +0.127 C 
BRANCH  12  15
ATOM     15  C   LIG    1        6.009  -1.048  -0.133  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        6.609  -0.846  -1.393  0.00  0.00    +0.062 A 
ATOM     17 CL   LIG    1        6.054   0.354  -2.511  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        7.694  -1.633  -1.804  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        8.194  -2.634  -0.974  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        7.613  -2.852   0.270  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        6.532  -2.068   0.681  0.00  0.00    +0.024 A 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -3.247   1.885  -0.462  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.737   0.543  -1.006  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1       -5.069   0.009  -0.578  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -6.001   0.831   0.267  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -7.415   0.250   0.367  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.378  -1.261   0.556  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.654  -1.937  -0.610  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1       -5.385  -1.230  -0.997  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.465  -1.969  -1.899  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -4.724  -3.098  -2.301  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.327  -1.304  -2.265  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -2.682  -1.792  -2.878  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -2.938  -0.082  -1.819  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4