REMARK  Name = BDB051453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.202   0.521  -0.024  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.915  -0.051   0.033  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.796  -1.428   0.190  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.444  -1.656   0.206  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.007  -2.556   0.329  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.784  -0.457   0.058  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.889  -2.290   0.300  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.160  -1.710   0.244  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.660   0.528  -0.040  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.318  -0.331   0.084  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.676  -0.309   0.038  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.540  -1.392  -0.174  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.928  -1.207  -0.184  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.475   0.067   0.009  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        2.624   1.153   0.225  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.237   0.963   0.234  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.955   0.242  -0.011  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1        5.524   1.497  -0.144  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1        5.038   2.175  -0.723  0.00  0.00    +0.176 HD
ATOM     20  S   LIG    1        7.189   1.351  -0.281  0.00  0.00    +0.051 S 
ATOM     21  C   LIG    1        7.058  -0.404  -0.004  0.00  0.00    +0.327 A 
ATOM     22  O   LIG    1        8.036  -1.131   0.071  0.00  0.00    -0.256 OA
ATOM     23  N   LIG    1        5.739  -0.802   0.087  0.00  0.00    -0.183 NA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -3.304   2.764  -0.304  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -2.370   2.362  -0.278  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.420   3.759  -0.428  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.413   1.977  -0.193  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -5.538   2.462  -0.234  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3