REMARK  Name = BDB012996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547   0.631  -1.884  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.707   0.421  -1.285  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.485  -0.692  -1.635  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.992  -1.611  -2.569  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.257  -1.415  -3.159  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.022  -0.301  -2.818  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.820  -0.958  -1.024  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -3.513   0.144  -0.571  0.00  0.00    -0.252 N 
ATOM      9  H   LIG    1       -3.172   1.089  -0.682  0.00  0.00    +0.158 HD
ATOM     10  O   LIG    1       -3.244  -2.112  -0.979  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.753   0.047   0.003  0.00  0.00    +0.201 A 
ATOM     12  N   LIG    1       -5.411  -1.137   0.217  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1       -5.037  -2.043  -0.037  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1       -6.615  -0.860   0.805  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1       -6.622   0.526   0.920  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -7.734   1.159   1.494  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -8.804   0.368   1.933  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -8.768  -1.023   1.803  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -7.667  -1.673   1.233  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1       -5.462   1.070   0.418  0.00  0.00    -0.214 NA
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1        1.399   1.817  -1.489  0.00  0.00    +0.182 C 
BRANCH  21  26
ATOM     22  C   LIG    1        4.937   0.444   2.824  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        3.960   0.783   1.744  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        4.267   0.587   0.299  0.00  0.00    +0.096 A 
ATOM     25  N   LIG    1        3.494   0.940  -0.679  0.00  0.00    -0.168 NA
ATOM     26  N   LIG    1        2.279   1.509  -0.368  0.00  0.00    -0.225 N 
ATOM     27  C   LIG    1        1.830   1.714   0.925  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1        0.738   2.188   1.228  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1        2.768   1.335   2.001  0.00  0.00    +0.077 A 
BRANCH  24  30
ATOM     30  C   LIG    1        5.553  -0.042  -0.051  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        5.796  -1.377   0.235  0.00  0.00    +0.120 A 
ATOM     32  N   LIG    1        6.958  -2.004  -0.067  0.00  0.00    -0.263 NA
ATOM     33  C   LIG    1        7.895  -1.269  -0.707  0.00  0.00    +0.111 A 
ATOM     34  C   LIG    1        7.728   0.063  -1.058  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        6.529   0.689  -0.727  0.00  0.00    +0.013 A 
ENDBRANCH  24  30
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5