REMARK  Name = BDB056954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.509  -0.341  -0.478  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -0.370   0.090   0.451  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.761   0.034   0.122  0.00  0.00    +0.150 A 
ATOM      4  N   LIG    1       -2.708   0.441   1.041  0.00  0.00    -0.337 N 
ATOM      5  H   LIG    1       -2.530   0.792   1.972  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -3.953   0.288   0.487  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -3.704  -0.216  -0.780  0.00  0.00    +0.089 A 
ATOM      8  C   LIG    1       -4.781  -0.488  -1.634  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.082  -0.242  -1.172  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -6.315   0.256   0.119  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -7.721   0.538   0.569  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.237   0.544   0.975  0.00  0.00    +0.031 A 
ATOM     13  N   LIG    1       -2.356  -0.367  -0.989  0.00  0.00    -0.227 NA
ENDBRANCH   2   3
BRANCH   1  17
ATOM     14  C   LIG    1        4.767  -0.489  -0.072  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1        4.109   0.748  -0.091  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.717   0.803  -0.223  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        1.968  -0.375  -0.331  0.00  0.00    -0.024 A 
ATOM     18  C   LIG    1        2.626  -1.609  -0.324  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        4.017  -1.666  -0.192  0.00  0.00    +0.015 A 
BRANCH  14  20
ATOM     20  C   LIG    1        6.245  -0.608   0.066  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1        6.836  -1.676   0.077  0.00  0.00    -0.245 OA
BRANCH  20  23
ATOM     22  C   LIG    1        8.238   0.583   0.312  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        6.816   0.618   0.172  0.00  0.00    -0.464 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   2  24
ATOM     24  C   LIG    1        0.062   0.573   1.725  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1        0.336   0.986   2.775  0.00  0.00    -0.191 NA
ENDBRANCH   2  24
TORSDOF 5