REMARK  Name = BDB022091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.632  -1.554   1.936  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.238  -1.531   1.973  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.623  -1.026   0.899  0.00  0.00    +0.118 C 
ATOM      4  C   LIG    1       -1.783  -0.195   1.470  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1       -2.387  -0.810   2.751  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -1.935  -2.253   2.968  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1       -0.410  -2.359   2.986  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        2.311  -2.268   2.672  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -2.816   0.102   0.410  0.00  0.00    +0.084 A 
ATOM     10  S   LIG    1       -3.811  -1.131  -0.262  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -4.576   0.030  -1.275  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -4.014   1.283  -1.033  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -4.492   2.393  -1.759  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -5.511   2.221  -2.702  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.057   0.962  -2.927  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.600  -0.155  -2.219  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1       -3.014   1.309  -0.075  0.00  0.00    -0.244 NA
ENDBRANCH   4   9
BRANCH   1  21
ATOM     18  C   LIG    1        3.774   0.960  -0.782  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.854   1.516   0.114  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.145   0.708   1.005  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.346  -0.674   0.987  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        3.284  -1.236   0.118  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        3.992  -0.419  -0.770  0.00  0.00    +0.046 A 
BRANCH  18  24
ATOM     24  O   LIG    1        4.394   1.872  -1.589  0.00  0.00    -0.492 OA
BRANCH  24  26
ATOM     25  C   LIG    1        6.690   1.273  -2.089  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1        5.271   1.407  -2.613  0.00  0.00    +0.225 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 4