REMARK  Name = BDB058883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.293  -0.978   0.880  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.366  -1.872   1.393  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        1.927  -1.049   1.970  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        1.034  -0.290   1.234  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        1.345   0.409   0.563  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        1.579  -2.060   2.576  0.00  0.00    -0.269 OA
BRANCH   3  10
ATOM      7  C   LIG    1        5.914   1.208  -0.150  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        5.261   0.528   1.017  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1        3.931   0.093   0.932  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        3.334  -0.575   2.011  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        4.083  -0.842   3.163  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.410  -0.422   3.247  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.996   0.259   2.179  0.00  0.00    +0.003 A 
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  S   LIG    1       -0.463  -1.298  -0.793  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        0.368  -0.340  -1.498  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.305  -2.724  -0.974  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.160  -0.870  -1.056  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -2.508   0.474  -1.221  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.845   0.831  -1.450  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.833  -0.181  -1.519  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -6.170   0.182  -1.747  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.530   1.521  -1.906  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.558   2.515  -1.839  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.459  -1.526  -1.361  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.224   2.173  -1.613  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -3.126  -1.874  -1.134  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4