REMARK  Name = BDB030642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.100  -0.021   0.713  0.00  0.00    -0.219 N 
ATOM      2  C   LIG    1       -0.255  -0.259  -0.347  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -0.515  -0.456  -1.519  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.113  -0.183   0.153  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        1.043   0.171   1.482  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.177   0.348   2.252  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.415   0.149   1.628  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        3.488  -0.214   0.261  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        2.318  -0.382  -0.494  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.369   0.313   1.827  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -0.727   0.663   2.935  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -3.311   0.309   1.893  0.00  0.00    +0.042 C 
ATOM     13  C   LIG    1       -2.568   0.156   0.547  0.00  0.00    +0.119 C 
ATOM     14  C   LIG    1       -2.772   1.473  -0.229  0.00  0.00    +0.243 C 
ATOM     15  O   LIG    1       -1.962   2.400  -0.220  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.962   1.607  -0.906  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.070   2.478  -1.409  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.822   0.611  -1.292  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.715   0.832  -2.105  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.649  -0.739  -0.638  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -3.198  -1.005  -0.256  0.00  0.00    +0.045 C 
ENDBRANCH   1  13
BRANCH   8  22
ATOM     22  C   LIG    1        4.784  -0.421  -0.398  0.00  0.00    +0.247 A 
ATOM     23  O   LIG    1        5.890  -0.236   0.367  0.00  0.00    -0.412 OA
ATOM     24  C   LIG    1        6.907  -0.492  -0.492  0.00  0.00    +0.264 A 
ATOM     25  S   LIG    1        8.481  -0.401  -0.037  0.00  0.00    +0.011 S 
ATOM     26  N   LIG    1        6.359  -0.810  -1.697  0.00  0.00    -0.237 N 
ATOM     27  H   LIG    1        6.853  -1.050  -2.548  0.00  0.00    +0.193 HD
ATOM     28  N   LIG    1        5.000  -0.764  -1.632  0.00  0.00    -0.132 NA
ENDBRANCH   8  22
TORSDOF 2