REMARK  Name = BDB025478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.516   2.237  -1.963  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        0.677   2.112  -1.244  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.935   2.895  -1.212  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        3.060   2.027  -0.609  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1        2.599   1.392   0.667  0.00  0.00    -0.170 NA
ATOM      6  C   LIG    1        1.469   0.427   0.517  0.00  0.00    +0.165 C 
ATOM      7  C   LIG    1        0.497   1.001  -0.450  0.00  0.00    +0.069 A 
ATOM      8  N   LIG    1       -0.755   0.497  -0.740  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -1.354  -0.675  -0.235  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.688  -1.403   0.496  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -1.383   1.276  -1.666  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.797  -0.926  -0.660  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.779  -0.431   0.388  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -4.455  -1.336   1.229  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.383  -0.841   2.159  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.601   0.530   2.299  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.913   1.412   1.482  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -5.127   2.728   1.602  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -4.355  -2.722   1.058  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.544  -3.233   1.918  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -3.186  -3.212   0.346  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -4.015   0.948   0.529  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.988  -2.426  -0.942  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  24
ATOM     24  N   LIG    1       -0.769   3.205  -2.848  0.00  0.00    -0.341 N 
ATOM     25  H   LIG    1       -1.739   3.310  -3.129  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -0.287   4.094  -2.777  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
BRANCH   5  27
ATOM     27  S   LIG    1        3.793   0.952   1.788  0.00  0.00    +0.061 S 
ATOM     28  O   LIG    1        4.747   2.037   1.881  0.00  0.00    -0.153 OA
ATOM     29  O   LIG    1        3.137   0.429   2.967  0.00  0.00    -0.153 OA
BRANCH  27  30
ATOM     30  C   LIG    1        4.621  -0.406   0.999  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1        5.714  -0.159   0.172  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1        6.341  -1.251  -0.396  0.00  0.00    +0.112 A 
ATOM     33  N   LIG    1        5.954  -2.528  -0.186  0.00  0.00    -0.263 NA
ATOM     34  C   LIG    1        4.912  -2.732   0.650  0.00  0.00    +0.112 A 
ATOM     35  C   LIG    1        4.218  -1.712   1.270  0.00  0.00    +0.048 A 
ENDBRANCH  27  30
ENDBRANCH   5  27
TORSDOF 4