REMARK  Name = BDB060436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.369  -1.691  -0.584  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.007  -1.051   0.111  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.528  -2.571  -1.160  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.270  -3.512  -1.901  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -4.182   3.408   2.798  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -4.707   2.453   1.852  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -5.177   2.847   1.051  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -3.991   1.301   1.574  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.599   0.471   0.616  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.874  -0.543  -0.119  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.559  -1.414  -0.992  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -3.848  -2.365  -1.745  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.464  -2.483  -1.631  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.768  -1.647  -0.768  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -6.049  -1.345  -1.184  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.712  -0.714   0.021  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.477  -0.681  -0.034  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.034   0.607   0.326  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -2.929   1.080   2.151  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        1.953  -2.338  -0.791  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        2.473  -1.040  -0.656  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.820  -0.845  -0.311  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        4.632  -1.975  -0.118  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        4.122  -3.266  -0.271  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.784  -3.448  -0.613  0.00  0.00    +0.013 A 
BRANCH  22  26
ATOM     26  C   LIG    1        4.379   0.507  -0.163  0.00  0.00    +0.095 A 
ATOM     27  N   LIG    1        5.699   0.703   0.010  0.00  0.00    -0.150 NA
ATOM     28  N   LIG    1        5.834   2.048   0.101  0.00  0.00    -0.141 N 
ATOM     29  C   LIG    1        4.648   2.721   0.004  0.00  0.00    +0.136 A 
ATOM     30  C   LIG    1        3.688   1.754  -0.168  0.00  0.00    +0.051 A 
BRANCH  28  31
ATOM     31  S   LIG    1        7.325   2.876   0.333  0.00  0.00    +0.067 S 
ATOM     32  O   LIG    1        7.211   3.476   1.650  0.00  0.00    -0.152 OA
ATOM     33  O   LIG    1        7.481   3.692  -0.859  0.00  0.00    -0.152 OA
ATOM     34  C   LIG    1        8.608   1.655   0.365  0.00  0.00    +0.223 C 
ENDBRANCH  28  31
ENDBRANCH  22  26
ENDBRANCH   3  20
TORSDOF 4