REMARK  Name = BDB058004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.363  -1.032   0.312  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.166   0.278  -0.149  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -0.445   0.515  -1.323  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        0.107  -0.560  -2.024  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -0.093  -1.870  -1.582  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.814  -2.101  -0.408  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -6.283   1.069   1.273  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.232   0.275   1.697  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.058   0.026   1.021  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -3.310  -0.816   1.835  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -4.043  -1.123   3.089  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -3.706  -1.820   4.020  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.100  -1.312   1.548  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -5.285  -0.376   2.931  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -6.359  -0.274   3.792  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -7.426   0.525   3.383  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.388   1.189   2.139  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -5.289   1.597  -0.902  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -4.540   0.934  -0.752  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -5.346   2.062  -1.799  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -6.313   1.796  -0.022  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -7.236   2.552  -0.303  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  S   LIG    1        0.994  -0.261  -3.541  0.00  0.00    +0.061 S 
ATOM     24  O   LIG    1        0.905  -1.466  -4.338  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        0.538   1.012  -4.057  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        2.597  -0.082  -3.040  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1        2.963   1.130  -2.252  0.00  0.00    +0.128 C 
ATOM     28  C   LIG    1        3.379   0.802  -0.806  0.00  0.00    +0.125 C 
ATOM     29  N   LIG    1        4.436  -0.210  -0.765  0.00  0.00    -0.297 N 
ATOM     30  C   LIG    1        4.672  -1.011  -1.965  0.00  0.00    +0.125 C 
ATOM     31  C   LIG    1        3.336  -1.322  -2.663  0.00  0.00    +0.128 C 
BRANCH  29  32
ATOM     32  C   LIG    1        5.487  -0.030   0.110  0.00  0.00    +0.218 A 
ATOM     33  N   LIG    1        5.332   0.814   1.145  0.00  0.00    -0.223 NA
ATOM     34  C   LIG    1        6.362   0.956   2.000  0.00  0.00    +0.116 A 
ATOM     35  C   LIG    1        7.552   0.290   1.870  0.00  0.00    +0.039 A 
ATOM     36  C   LIG    1        7.627  -0.550   0.790  0.00  0.00    +0.116 A 
ATOM     37  N   LIG    1        6.621  -0.724  -0.089  0.00  0.00    -0.223 NA
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH   4  23
TORSDOF 5