REMARK  Name = BDB039741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.700   1.930  -0.947  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.936   1.147  -0.404  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.361   0.016   0.299  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.674  -0.603   0.721  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.504   1.247  -0.453  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.268   0.274   0.144  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.573   0.610  -0.055  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.664   1.790  -0.776  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        3.939   2.284  -1.072  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.061   1.560  -0.622  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.965   0.362   0.113  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        3.674  -0.120   0.398  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.329   2.195  -1.030  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1        6.089  -0.315   0.533  0.00  0.00    -0.330 N 
ATOM     15  C   LIG    1        7.452   0.203   0.426  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1        8.272  -0.726   1.317  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        7.530  -2.046   1.213  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        6.066  -1.616   1.199  0.00  0.00    +0.105 C 
ENDBRANCH  11  14
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.922  -0.256   0.781  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.397   0.976   1.367  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.871  -1.488   1.542  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.819  -0.623  -0.713  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1       -5.214  -0.438  -0.777  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -5.856  -0.710  -2.002  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.145  -1.164  -3.115  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.773  -1.368  -3.025  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.109  -1.104  -1.828  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -6.047  -0.028   0.362  0.00  0.00    -0.016 A 
ATOM     29  C   LIG    1       -6.334  -0.926   1.402  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -7.141  -0.541   2.475  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.676   0.744   2.520  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.404   1.646   1.494  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.596   1.262   0.420  0.00  0.00    +0.008 A 
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 5