REMARK  Name = BDB002914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.541  -1.068  -0.698  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        1.152  -0.265  -1.810  0.00  0.00    +0.135 C 
ATOM      3  S   LIG    1        2.475   0.730  -1.095  0.00  0.00    -0.082 S 
ATOM      4  C   LIG    1        3.300  -0.642  -0.363  0.00  0.00    +0.180 C 
ATOM      5  N   LIG    1        2.661  -1.696   0.068  0.00  0.00    -0.127 NA
ATOM      6  N   LIG    1        1.258  -1.728   0.164  0.00  0.00    -0.150 NA
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -3.116  -0.802  -0.534  0.00  0.00    -0.345 N 
ATOM      8  C   LIG    1       -1.877  -0.208  -0.719  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -1.726   1.252  -0.996  0.00  0.00    +0.064 C 
ATOM     10  C   LIG    1       -0.908  -1.196  -0.562  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.600  -2.388  -0.207  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1       -2.954  -2.135  -0.222  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -4.079  -3.073   0.041  0.00  0.00    +0.063 C 
BRANCH   7  14
ATOM     14  C   LIG    1       -4.402  -0.127  -0.647  0.00  0.00    +0.149 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.885   0.434   0.686  0.00  0.00    +0.181 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.639   1.653   1.687  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1       -6.128   1.110   0.475  0.00  0.00    -0.381 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  N   LIG    1        4.669  -0.648  -0.381  0.00  0.00    -0.290 N 
ATOM     19  H   LIG    1        5.038  -1.578  -0.197  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        5.558   0.319   0.149  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        6.938   0.121  -0.037  0.00  0.00    +0.144 A 
ATOM     22  F   LIG    1        7.364  -0.992  -0.657  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        7.887   1.037   0.411  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.468   2.192   1.062  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.106   2.417   1.259  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.159   1.489   0.803  0.00  0.00    +0.026 A 
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 6