REMARK  Name = BDB015350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.190  -3.409   0.452  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.657  -2.061   0.411  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.240  -1.576   1.438  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        2.047  -0.941   0.426  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        1.810   0.433   0.355  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.891   1.318   0.363  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.214   0.848   0.447  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.423  -0.541   0.527  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.349  -1.435   0.520  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.350   1.784   0.456  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        6.399   1.658  -0.470  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        7.477   2.547  -0.461  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        7.517   3.570   0.476  0.00  0.00    +0.117 A 
ATOM     14  C   LIG    1        6.496   3.721   1.407  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.418   2.830   1.393  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  O   LIG    1        8.587   4.413   0.451  0.00  0.00    -0.507 OA
ATOM     17  H   LIG    1        8.485   5.066   1.163  0.00  0.00    +0.292 HD
ENDBRANCH  13  16
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  18
ATOM     18  N   LIG    1        0.022  -1.790  -1.142  0.00  0.00    -0.172 N 
ATOM     19  C   LIG    1       -1.263  -2.255  -1.505  0.00  0.00    +0.201 C 
ATOM     20  N   LIG    1       -1.293  -3.008  -2.561  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        0.111  -3.194  -2.987  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1        0.937  -2.150  -2.249  0.00  0.00    +0.158 C 
BRANCH  19  23
ATOM     23  N   LIG    1       -2.355  -1.852  -0.791  0.00  0.00    -0.300 N 
ATOM     24  C   LIG    1       -3.647  -2.500  -1.081  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1       -4.769  -1.952  -0.180  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1       -5.005  -0.504  -0.369  0.00  0.00    -0.296 NA
ATOM     27  C   LIG    1       -3.747   0.215  -0.653  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -2.460  -0.511  -0.196  0.00  0.00    +0.123 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -5.863  -0.008   0.713  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1       -5.128   0.503   1.969  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -6.154   1.662   1.988  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -6.337   1.441   0.467  0.00  0.00    +0.019 C 
ENDBRANCH  26  29
ENDBRANCH  19  23
ENDBRANCH   2  18
TORSDOF 6