REMARK  Name = BDB049408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.348   1.327  -2.058  0.00  0.00    -0.079 S 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        5.915  -0.402   0.099  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        5.274   0.424  -0.835  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        3.874   0.424  -0.900  0.00  0.00    +0.093 A 
ATOM      5  C   LIG    1        3.156  -0.398  -0.036  0.00  0.00    +0.067 A 
ATOM      6  N   LIG    1        1.845  -0.162  -0.360  0.00  0.00    -0.333 N 
ATOM      7  H   LIG    1        1.027  -0.567   0.082  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        1.824   0.769  -1.358  0.00  0.00    +0.168 A 
ATOM      9  C   LIG    1        3.760  -1.230   0.906  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1        3.029   1.140  -1.716  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        5.162  -1.214   0.955  0.00  0.00    +0.048 A 
BRANCH   2  13
ATOM     12  C   LIG    1        7.997  -1.144   0.988  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        7.283  -0.321   0.075  0.00  0.00    -0.495 OA
ENDBRANCH   2  13
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1       -0.526   1.964  -0.602  0.00  0.00    +0.173 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.290   0.834   0.075  0.00  0.00    +0.228 C 
ATOM     16  N   LIG    1       -2.655   0.912  -0.108  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -3.026   1.647  -0.706  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -0.690  -0.047   0.692  0.00  0.00    -0.275 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.659   0.048   0.384  0.00  0.00    +0.076 A 
ATOM     20  C   LIG    1       -4.987   0.332  -0.007  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1       -6.032  -0.479   0.443  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -5.765  -1.567   1.276  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.457  -1.846   1.663  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.405  -1.041   1.219  0.00  0.00    +0.027 A 
BRANCH  20  25
ATOM     25  O   LIG    1       -5.136   1.428  -0.827  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1       -6.453   1.722  -1.278  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
ENDBRANCH  16  19
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6