REMARK  Name = BDB030260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.690   1.131   1.058  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.430   0.972   0.492  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.706   1.656   1.084  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -1.881   1.232   0.265  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1       -2.315  -0.218   0.202  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.389   0.369  -0.843  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.096   0.235  -0.723  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        1.823   1.808   2.083  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.700  -0.549  -0.150  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -4.829  -0.224   0.745  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -5.954  -0.446  -0.251  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1       -6.384   0.849  -0.944  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -7.154  -1.134   0.392  0.00  0.00    +0.058 C 
ATOM     14  O   LIG    1       -5.401  -1.333  -1.244  0.00  0.00    -0.387 OA
ATOM     15  N   LIG    1       -3.991  -1.180  -1.236  0.00  0.00    -0.093 NA
ENDBRANCH   5   9
BRANCH   1  20
ATOM     16  C   LIG    1        4.996  -0.150   0.095  0.00  0.00    +0.039 A 
ATOM     17  N   LIG    1        4.146  -0.605  -0.873  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        4.371  -1.173  -1.683  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1        2.869  -0.234  -0.696  0.00  0.00    -0.169 NA
ATOM     20  C   LIG    1        2.875   0.493   0.438  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1        4.200   0.567   0.960  0.00  0.00    +0.057 A 
BRANCH  16  23
ATOM     22  C   LIG    1        7.159   0.154  -1.121  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        6.466  -0.434   0.108  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        6.743  -1.933   0.225  0.00  0.00    +0.014 C 
ENDBRANCH  16  23
ENDBRANCH   1  20
TORSDOF 3