REMARK  Name = BDB025461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.130  -0.511  -0.963  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1        2.035   0.443  -0.585  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        0.697  -0.121  -0.963  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -0.465   0.413  -0.577  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -1.417  -0.411  -1.123  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -0.833  -1.408  -1.914  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -2.791  -0.212  -0.860  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -3.615  -0.981  -1.352  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.524  -1.241  -1.808  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        1.671  -1.986  -2.390  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        2.942  -1.118  -2.325  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -3.106   0.989   0.023  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -4.398   0.825   0.821  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -5.310   1.894   0.934  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.507   1.703   1.641  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -6.764   0.504   2.306  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -5.828  -0.516   2.250  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -6.063  -1.664   2.900  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -5.117   3.105   0.253  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -5.591   3.882   0.708  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.745   3.403  -0.123  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -4.654  -0.369   1.522  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.159   2.228  -0.882  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  24
ATOM     24  S   LIG    1        3.684  -1.547   0.259  0.00  0.00    +0.037 S 
ATOM     25  O   LIG    1        4.166  -2.757  -0.377  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        2.669  -1.615   1.288  0.00  0.00    -0.158 OA
BRANCH  24  28
ATOM     27  C   LIG    1        5.770  -1.523   2.023  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1        5.145  -0.653   0.920  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1        6.173  -0.436  -0.200  0.00  0.00    +0.036 C 
ATOM     30  C   LIG    1        4.736   0.699   1.518  0.00  0.00    +0.036 C 
ENDBRANCH  24  28
ENDBRANCH   1  24
BRANCH   6  31
ATOM     31  N   LIG    1       -1.542  -2.322  -2.615  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1       -1.116  -3.197  -2.910  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -2.550  -2.408  -2.443  0.00  0.00    +0.144 HD
ENDBRANCH   6  31
TORSDOF 4