REMARK  Name = BDB002808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.023   0.007   0.587  0.00  0.00    +0.070 A 
ATOM      2  C   LIG    1       -0.305   1.380   0.395  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.664   1.749   0.465  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -2.011   3.081   0.281  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.056   4.066   0.023  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.283   3.718  -0.056  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.651   0.870   0.700  0.00  0.00    -0.244 NA
ATOM      8  C   LIG    1       -2.345  -0.436   0.877  0.00  0.00    +0.107 A 
ATOM      9  C   LIG    1        0.658   2.387   0.125  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -1.049  -0.909   0.830  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.490  -1.300   1.127  0.00  0.00    +0.153 A 
ATOM     12  O   LIG    1       -3.234  -2.629   1.331  0.00  0.00    -0.461 OA
ATOM     13  C   LIG    1       -4.428  -3.241   1.542  0.00  0.00    +0.196 A 
ATOM     14  C   LIG    1       -5.455  -2.330   1.480  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -4.852  -1.077   1.213  0.00  0.00    +0.051 A 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  C   LIG    1        1.367  -0.504   0.570  0.00  0.00    +0.340 C 
ATOM     17  O   LIG    1        2.315   0.034   1.118  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        1.414  -1.637  -0.170  0.00  0.00    -0.452 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.706  -2.236  -0.287  0.00  0.00    +0.328 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.140   0.412  -1.515  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1        4.328  -0.455  -0.702  0.00  0.00    -0.316 N 
ATOM     22  H   LIG    1        3.956  -0.080   0.172  0.00  0.00    +0.148 HD
ATOM     23  C   LIG    1        3.631  -1.504  -1.264  0.00  0.00    +0.251 C 
ATOM     24  O   LIG    1        3.734  -1.833  -2.443  0.00  0.00    -0.272 OA
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5