REMARK  Name = BDB058146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.189   0.906   0.230  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -1.960   0.203   0.934  0.00  0.00    +0.012 C 
ATOM      3  C   LIG    1       -0.572   0.893   0.687  0.00  0.00    -0.025 C 
ATOM      4  C   LIG    1        0.540   0.165   1.557  0.00  0.00    +0.002 C 
ATOM      5  C   LIG    1        0.524  -1.403   1.528  0.00  0.00    -0.020 C 
ATOM      6  C   LIG    1        1.234  -2.025   0.298  0.00  0.00    +0.062 C 
ATOM      7  C   LIG    1        2.688  -1.995   0.720  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1        2.839  -1.551   2.163  0.00  0.00    +0.010 C 
ATOM      9  C   LIG    1        3.931  -2.288   2.921  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        3.028  -0.024   2.191  0.00  0.00    +0.013 C 
ATOM     11  N   LIG    1        3.708  -2.253  -0.035  0.00  0.00    -0.093 NA
ATOM     12  C   LIG    1       -0.893  -1.948   1.722  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        1.437  -1.906   2.672  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        1.973   0.720   1.354  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -0.224   0.905  -0.819  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -0.652   2.386   1.159  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -2.066   2.945   1.309  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -1.891  -1.326   0.752  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1       -3.004   2.450   0.222  0.00  0.00    +0.018 C 
ATOM     20  C   LIG    1       -4.469   0.559   1.032  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1  21
ATOM     21  C   LIG    1       -3.460   0.454  -1.221  0.00  0.00    +0.313 C 
ATOM     22  O   LIG    1       -2.898  -0.458  -1.810  0.00  0.00    -0.250 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -4.460   1.203  -1.776  0.00  0.00    -0.465 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -5.832   1.829  -3.629  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -4.795   0.846  -3.124  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH  11  26
ATOM     26  O   LIG    1        3.280  -2.593  -1.330  0.00  0.00    -0.389 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.271  -2.185  -2.281  0.00  0.00    +0.298 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.217  -0.710  -2.560  0.00  0.00    -0.001 A 
ATOM     29  C   LIG    1        3.092  -0.029  -2.990  0.00  0.00    +0.052 A 
ATOM     30  S   LIG    1        3.371   1.644  -3.201  0.00  0.00    -0.105 S 
ATOM     31  C   LIG    1        5.004   1.487  -2.724  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        5.327   0.187  -2.409  0.00  0.00    +0.014 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 6