REMARK  Name = BDB025385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.529   0.886  -0.522  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.796   0.707  -0.066  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.664   1.679   0.446  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.856   1.044   0.688  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        4.158   1.538   1.200  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        5.056   0.360   1.623  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        5.043  -0.785   0.650  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.675  -1.379   0.461  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.641  -0.302   0.330  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.394  -0.526  -0.093  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.020   2.013  -0.507  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.717   0.131   0.487  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -3.326   0.107   0.323  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -2.732  -0.352  -0.871  0.00  0.00    -0.013 A 
ATOM     15  C   LIG    1       -1.211  -0.382  -1.019  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -0.798  -0.593  -2.483  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -1.629  -1.702  -3.100  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -3.029  -1.313  -3.110  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -3.638  -1.990  -3.564  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.551  -0.865  -1.889  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -4.941  -0.803  -1.733  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -5.520  -0.322  -0.554  0.00  0.00    +0.025 A 
BRANCH  12  25
ATOM     23  C   LIG    1       -6.674   1.354   3.470  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -6.536   0.730   2.103  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1       -5.214   0.631   1.709  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1       -4.519   0.967   2.362  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1       -7.527   0.390   1.468  0.00  0.00    -0.276 OA
ENDBRANCH  12  25
ENDBRANCH   1  15
BRANCH   7  28
ATOM     28  S   LIG    1        5.952  -0.636  -0.771  0.00  0.00    +0.029 S 
ATOM     29  O   LIG    1        5.709   0.671  -1.337  0.00  0.00    -0.158 OA
ATOM     30  O   LIG    1        5.762  -1.839  -1.552  0.00  0.00    -0.158 OA
ATOM     31  C   LIG    1        7.619  -0.679  -0.148  0.00  0.00    +0.215 C 
ENDBRANCH   7  28
BRANCH   3  32
ATOM     32  N   LIG    1        1.317   2.975   0.630  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        2.034   3.696   0.656  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        0.444   3.311   0.207  0.00  0.00    +0.144 HD
ENDBRANCH   3  32
TORSDOF 4