REMARK  Name = BDB049420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.181   0.001  -0.342  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -2.596   0.413  -1.182  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -0.807  -0.145  -0.335  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1       -0.129  -0.571   0.601  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -4.494  -0.040   0.472  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -3.117  -0.309   0.680  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.724  -0.879   1.899  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -3.663  -1.176   2.892  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -5.011  -0.910   2.686  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.427  -0.345   1.482  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -4.959   0.563  -0.815  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -4.207   0.809  -1.749  0.00  0.00    -0.245 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -6.802   1.379  -2.003  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1       -6.295   0.795  -0.801  0.00  0.00    -0.464 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1       -0.146   0.301  -1.635  0.00  0.00    +0.173 C 
BRANCH  15  16
ATOM     16  S   LIG    1        0.831   1.802  -1.345  0.00  0.00    -0.079 S 
BRANCH  16  17
ATOM     17  C   LIG    1        2.342   1.136  -0.842  0.00  0.00    +0.168 A 
ATOM     18  N   LIG    1        2.442   0.321   0.249  0.00  0.00    -0.333 N 
ATOM     19  H   LIG    1        1.665   0.005   0.818  0.00  0.00    +0.168 HD
ATOM     20  C   LIG    1        3.760  -0.028   0.390  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        4.400   0.635  -0.653  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1        5.788   0.495  -0.803  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        6.498  -0.306   0.110  0.00  0.00    -0.048 A 
ATOM     24  C   LIG    1        5.812  -0.971   1.138  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        7.979  -0.493  -0.054  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        4.427  -0.843   1.304  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1        3.503   1.354  -1.408  0.00  0.00    -0.222 NA
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 6