REMARK  Name = BDB002549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.447  -1.525  -1.900  0.00  0.00    -0.017 S 
ATOM      2  O   LIG    1       -0.070  -2.523  -2.824  0.00  0.00    -0.174 OA
ATOM      3  O   LIG    1        0.631  -1.871  -0.501  0.00  0.00    -0.174 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.567  -0.049  -2.030  0.00  0.00    +0.225 C 
BRANCH   4   9
ATOM      5  C   LIG    1       -3.769  -0.145  -0.500  0.00  0.00    +0.228 A 
ATOM      6  O   LIG    1       -4.116  -0.905  -1.586  0.00  0.00    -0.440 OA
ATOM      7  C   LIG    1       -2.972  -0.990  -2.327  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1       -3.053  -1.755  -3.584  0.00  0.00    +0.088 C 
ATOM      9  C   LIG    1       -1.982  -0.296  -1.660  0.00  0.00    +0.104 A 
ATOM     10  N   LIG    1       -2.512   0.255  -0.511  0.00  0.00    -0.212 NA
BRANCH   5  15
ATOM     11  C   LIG    1       -7.856   0.967   3.443  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.796   0.651   2.430  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -7.101  -0.107   1.296  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.119  -0.376   0.336  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -4.815   0.117   0.485  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -4.521   0.889   1.618  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -5.501   1.159   2.579  0.00  0.00    +0.004 A 
ENDBRANCH   5  15
ENDBRANCH   4   9
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1        2.026  -1.059  -2.542  0.00  0.00    +0.262 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.532   0.174  -1.862  0.00  0.00    +0.237 C 
ATOM     20  N   LIG    1        3.474   0.065  -0.851  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1        3.912   1.316  -0.230  0.00  0.00    +0.143 C 
ATOM     22  C   LIG    1        5.157   1.193   0.617  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        5.732  -0.055   0.913  0.00  0.00    -0.041 A 
ATOM     24  C   LIG    1        6.889  -0.121   1.701  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.459   1.043   2.215  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.884   2.281   1.940  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.142  -1.315   0.338  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1        5.739   2.356   1.145  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.671  -1.135  -0.032  0.00  0.00    +0.113 C 
ATOM     30  O   LIG    1        2.122   1.270  -2.256  0.00  0.00    -0.274 OA
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5