REMARK  Name = BDB048832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.320  -0.498   0.460  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        1.168  -1.295   0.085  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -0.020  -0.466   0.116  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.452   0.802   0.491  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.429   1.862   0.633  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.792   1.640   0.394  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.260   0.367   0.025  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -1.364  -0.700  -0.112  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        1.923   0.773   0.702  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.799   1.903   1.029  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        3.451   1.976   2.264  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        4.267   3.067   2.569  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.433   4.096   1.643  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.784   4.034   0.411  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.970   2.942   0.104  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1        1.199  -2.711  -0.085  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1        1.957  -3.477   0.850  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1        0.503  -3.368  -1.185  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1        3.705  -1.007   0.484  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        4.515  -0.801   1.373  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        3.931  -1.703  -0.663  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1        5.313  -3.106  -2.009  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        5.230  -2.299  -0.728  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1       -3.565   0.036  -0.224  0.00  0.00    -0.486 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -4.539   1.077  -0.099  0.00  0.00    +0.284 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.918   0.529  -0.397  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1       -6.705   1.252  -1.237  0.00  0.00    -0.256 NA
ATOM     28  C   LIG    1       -7.946   0.780  -1.486  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -8.457  -0.380  -0.929  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -7.647  -1.103  -0.062  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -6.362  -0.644   0.212  0.00  0.00    +0.027 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 8