REMARK  Name = BDB002094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.428  -0.291  -0.982  0.00  0.00    +0.142 C 
ATOM      2  C   LIG    1        0.406  -1.234  -0.405  0.00  0.00    +0.024 C 
ATOM      3  C   LIG    1        0.851  -2.654  -0.278  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -0.142  -3.682   0.209  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -1.552  -3.296  -0.198  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1       -1.887  -1.900   0.319  0.00  0.00    +0.036 C 
ATOM      7  O   LIG    1        2.012  -2.975  -0.528  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -0.857  -0.874  -0.083  0.00  0.00    -0.029 C 
ATOM      9  C   LIG    1       -1.233   0.569  -0.274  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.416   1.306  -1.171  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -0.818   2.573  -1.593  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -1.958   3.163  -1.061  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -2.710   2.537  -0.090  0.00  0.00    +0.072 A 
ATOM     14  N   LIG    1       -3.754   3.233   0.394  0.00  0.00    -0.255 NA
ATOM     15  C   LIG    1       -4.488   2.688   1.380  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -4.216   1.458   1.928  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -3.139   0.740   1.413  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -2.349   1.236   0.346  0.00  0.00    +0.010 A 
ATOM     19  N   LIG    1        0.740   0.758  -1.759  0.00  0.00    -0.332 N 
ATOM     20  H   LIG    1        1.396   1.481  -2.043  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1  23
ATOM     21  C   LIG    1        4.607  -0.481  -1.242  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.865   0.175  -0.122  0.00  0.00    -0.038 A 
ATOM     23  C   LIG    1        2.478   0.247  -0.011  0.00  0.00    +0.017 A 
ATOM     24  S   LIG    1        2.006   1.069   1.425  0.00  0.00    -0.099 S 
ATOM     25  C   LIG    1        3.620   1.329   1.897  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.511   0.806   0.992  0.00  0.00    +0.011 A 
ENDBRANCH   1  23
TORSDOF 1