REMARK  Name = BDB063993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.972  -0.090   0.907  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        1.096  -0.382   2.223  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.376  -0.369   2.921  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.367  -0.786   2.470  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.856  -1.149   3.520  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.000  -0.678   1.128  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        4.284  -0.998   0.926  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        2.064  -0.243   0.215  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.010  -0.950  -0.354  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.996  -1.922  -0.592  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.724  -1.872  -1.795  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.505  -0.879  -2.751  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.298  -0.958  -3.885  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.100  -1.993  -3.785  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.526   0.099  -2.494  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.968  -2.926  -2.356  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.795   0.057  -1.299  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.201   0.321   0.349  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.044   0.635  -0.606  0.00  0.00    +0.149 HD
BRANCH  18  26
ATOM     20  C   LIG    1       -6.535  -0.768   0.016  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -5.705   0.266  -0.599  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -5.480   1.408   0.296  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -4.498   1.123   1.436  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.171   0.607   0.868  0.00  0.00    -0.024 C 
ATOM     25  C   LIG    1       -2.089   0.374   1.960  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -1.069   1.165   1.115  0.00  0.00    +0.074 C 
ATOM     27  C   LIG    1       -2.243   1.708   0.272  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1       -3.412  -0.611  -0.034  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -4.440  -0.270  -1.117  0.00  0.00    +0.084 C 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 3