REMARK  Name = BDB048234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.941  -1.216  -0.222  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.915  -0.252  -0.193  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.564  -0.642  -0.060  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.289  -2.006   0.054  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -1.072  -2.142   0.186  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -1.549  -3.026   0.292  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.693  -0.920   0.152  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -3.053  -0.588   0.249  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -4.257  -1.466   0.457  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -5.391  -0.523   0.034  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -4.918   0.906   0.345  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.440   0.759   0.191  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -2.478   1.723   0.048  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -2.583   3.178  -0.028  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -3.610   3.823   0.028  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -1.315   3.641  -0.173  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -1.080   4.616  -0.265  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -0.392   2.639  -0.212  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        0.805   2.777  -0.359  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.130   1.387  -0.056  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        1.284  -2.989   0.036  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -0.689   0.054  -0.004  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        2.612  -2.570  -0.103  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  27
ATOM     24  C   LIG    1        6.002   0.656  -0.146  0.00  0.00    +0.156 A 
ATOM     25  S   LIG    1        6.798  -0.638  -0.942  0.00  0.00    -0.060 S 
ATOM     26  C   LIG    1        5.326  -1.518  -0.960  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1        4.326  -0.775  -0.362  0.00  0.00    +0.080 A 
ATOM     28  N   LIG    1        4.728   0.473   0.089  0.00  0.00    -0.225 NA
BRANCH  24  29
ATOM     29  N   LIG    1        6.651   1.785   0.185  0.00  0.00    -0.338 N 
ATOM     30  H   LIG    1        7.459   2.027  -0.375  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        6.037   2.572   0.367  0.00  0.00    +0.144 HD
ENDBRANCH  24  29
ENDBRANCH   1  27
TORSDOF 2