REMARK  Name = BDB060435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.502  -0.430   0.556  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.626   0.490   0.961  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.792  -0.904   0.447  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.159  -1.921  -0.128  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -6.718   3.200   0.987  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -6.586   1.798   0.672  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -7.090   1.175   1.285  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -5.351   1.302   0.290  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -5.355  -0.079   0.003  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -4.123  -0.816  -0.194  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.135  -2.079  -0.817  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.933  -2.778  -1.022  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.717  -2.258  -0.583  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.682  -1.032   0.068  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.408  -2.703  -1.315  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.574  -2.219  -0.482  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.885  -0.332   0.266  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.593  -0.702  -0.491  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -4.381   2.052   0.219  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        1.831  -0.044   1.082  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        3.090   0.041   0.469  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        4.104   0.833   1.024  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        3.837   1.535   2.208  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        2.591   1.438   2.833  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        1.588   0.646   2.275  0.00  0.00    +0.013 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.409   0.939   0.392  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.995  -0.035  -0.391  0.00  0.00    +0.144 A 
ATOM     28  N   LIG    1        7.216   0.460  -0.774  0.00  0.00    -0.141 N 
ATOM     29  N   LIG    1        7.472   1.700  -0.281  0.00  0.00    -0.158 NA
ATOM     30  C   LIG    1        6.370   1.979   0.422  0.00  0.00    +0.144 A 
BRANCH  28  31
ATOM     31  S   LIG    1        8.292  -0.453  -1.760  0.00  0.00    +0.067 S 
ATOM     32  O   LIG    1        7.577  -0.639  -3.010  0.00  0.00    -0.152 OA
ATOM     33  O   LIG    1        8.681  -1.581  -0.933  0.00  0.00    -0.152 OA
ATOM     34  C   LIG    1        9.716   0.557  -2.059  0.00  0.00    +0.223 C 
ENDBRANCH  28  31
ENDBRANCH  22  26
ENDBRANCH   3  20
TORSDOF 4