REMARK  Name = BDB025449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.983   0.885   0.205  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.014   0.487  -0.860  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        1.675   0.181  -0.252  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        0.614  -0.176  -0.971  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.417  -0.284  -0.066  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.087  -0.199   1.250  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -1.732  -0.402  -0.589  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -1.879  -0.633  -1.788  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.407   0.168   1.130  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.464   0.465   2.131  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        3.851   0.199   1.518  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.878  -0.156   0.382  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -4.205  -0.682  -0.157  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -5.190   0.200  -0.632  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.414  -0.325  -1.068  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.637  -1.703  -1.100  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.643  -2.576  -0.671  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.045   1.594  -0.544  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -5.571   2.069  -1.275  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.682   2.082  -0.411  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -4.434  -2.070  -0.197  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.980   1.339   0.717  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  23
ATOM     23  S   LIG    1        5.496   1.418  -0.275  0.00  0.00    +0.032 S 
ATOM     24  O   LIG    1        6.020   2.218   0.813  0.00  0.00    -0.158 OA
ATOM     25  O   LIG    1        5.384   1.968  -1.608  0.00  0.00    -0.158 OA
BRANCH  23  27
ATOM     26  C   LIG    1        6.042  -1.102  -1.339  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1        6.509  -0.058  -0.351  0.00  0.00    +0.182 C 
ENDBRANCH  23  27
ENDBRANCH   1  23
BRANCH   6  28
ATOM     28  N   LIG    1       -0.605  -0.430   2.396  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -1.199  -1.258   2.451  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -0.090  -0.353   3.274  0.00  0.00    +0.144 HD
ENDBRANCH   6  28
TORSDOF 4