REMARK  Name = BDB007644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.826   0.970   0.455  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.429   2.214   0.855  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1        1.677   2.696   0.046  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.766   0.236  -0.512  0.00  0.00    +0.137 C 
BRANCH   4   7
ATOM      5  O   LIG    1        3.822  -1.472  -1.478  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.033  -0.762  -0.498  0.00  0.00    +0.279 C 
ATOM      7  N   LIG    1        3.075   0.037   0.077  0.00  0.00    -0.306 N 
ATOM      8  H   LIG    1        3.397   0.672   0.806  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1        5.324  -0.678   0.155  0.00  0.00    +0.194 A 
ATOM     10  N   LIG    1        6.426  -1.405  -0.219  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1        6.440  -2.071  -0.981  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        7.456  -1.064   0.612  0.00  0.00    +0.104 A 
ATOM     13  C   LIG    1        6.929  -0.127   1.468  0.00  0.00    +0.130 A 
ATOM     14  N   LIG    1        5.609   0.111   1.179  0.00  0.00    -0.232 NA
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.555   1.264  -0.173  0.00  0.00    +0.117 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.302   0.083  -0.637  0.00  0.00    -0.295 NA
ATOM     17  C   LIG    1       -2.490   0.468  -1.426  0.00  0.00    +0.120 C 
ATOM     18  C   LIG    1       -3.809   0.386  -0.694  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -4.031  -0.720   0.144  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -5.268  -0.897   0.765  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -6.282   0.039   0.564  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.065   1.143  -0.263  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.883  -1.675   0.324  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -4.834   1.313  -0.898  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -1.592  -0.854   0.471  0.00  0.00    +0.089 C 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6