REMARK  Name = BDB009062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.127   0.195  -1.245  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.256   0.976  -0.482  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.206   1.690  -1.085  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.055   1.635  -2.476  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.929   0.873  -3.247  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.959   0.157  -2.635  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.776  -0.414   1.575  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.466  -0.787   0.632  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        3.188  -0.561  -0.704  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.759  -1.052  -1.376  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.687  -1.578   0.866  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        4.949  -2.149   2.103  0.00  0.00    +0.058 A 
ATOM     13  S   LIG    1        6.413  -3.026   2.149  0.00  0.00    -0.104 S 
ATOM     14  C   LIG    1        6.753  -2.643   0.521  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.764  -1.867  -0.045  0.00  0.00    +0.020 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.733   2.522  -0.243  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.190   2.083  -0.360  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.660   0.861   0.366  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -1.733   0.080   1.256  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -2.461  -0.908   2.173  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.539  -1.668   1.412  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.569  -0.708   0.814  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.945   0.509   0.186  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.831   1.334  -0.673  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -6.011   1.049  -0.849  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.252   2.431  -1.250  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -4.841   3.009  -1.841  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -2.955   2.814  -1.117  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4