REMARK  Name = BDB003726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.358  -0.537   2.192  0.00  0.00    +0.203 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.732  -0.170   1.611  0.00  0.00    +0.235 C 
ATOM      3  N   LIG    1        1.654   0.635   0.491  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1        0.755   1.104   0.344  0.00  0.00    +0.155 HD
ATOM      5  O   LIG    1        2.761  -0.486   2.202  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.724   1.088  -0.313  0.00  0.00    +0.105 A 
ATOM      7  C   LIG    1        2.485   2.207  -1.120  0.00  0.00    +0.147 A 
ATOM      8  F   LIG    1        1.277   2.793  -1.099  0.00  0.00    -0.203 F 
ATOM      9  C   LIG    1        3.470   2.746  -1.947  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.729   2.155  -1.992  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.981   1.020  -1.222  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        3.983   0.489  -0.398  0.00  0.00    +0.147 A 
ATOM     13  F   LIG    1        4.263  -0.659   0.232  0.00  0.00    -0.203 F 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  N   LIG    1       -0.558  -1.109   1.194  0.00  0.00    -0.293 N 
ATOM     15  C   LIG    1       -1.345  -0.239   0.446  0.00  0.00    +0.220 C 
ATOM     16  O   LIG    1       -1.166   0.979   0.534  0.00  0.00    -0.275 OA
BRANCH  14  18
ATOM     17  C   LIG    1       -1.336  -3.323   1.976  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -0.479  -2.556   0.982  0.00  0.00    +0.105 C 
ENDBRANCH  14  18
BRANCH  15  19
ATOM     19  C   LIG    1       -2.367  -0.853  -0.508  0.00  0.00    +0.131 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.425   0.121  -0.947  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1       -4.661   0.268  -0.344  0.00  0.00    +0.049 A 
ATOM     22  S   LIG    1       -5.633   1.455  -1.100  0.00  0.00    -0.105 S 
ATOM     23  C   LIG    1       -4.414   1.800  -2.245  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1       -3.293   1.021  -2.057  0.00  0.00    +0.011 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  14
TORSDOF 6