REMARK  Name = BDB048119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.629  -0.081  -0.740  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.171   0.831   0.092  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.409   0.563   0.562  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -3.141  -0.578   0.243  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -2.539  -1.505  -0.611  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.264  -1.255  -1.110  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.639   0.110  -1.245  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.232   1.375  -0.926  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.890   1.377   0.455  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.257  -1.905   1.124  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.208  -0.832   0.789  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.100   0.513   0.506  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.351   1.030   0.249  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.164  -0.003   0.379  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.529  -1.173   0.707  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.615  -0.061   0.221  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.323   1.105  -0.112  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.711   1.081  -0.269  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        9.411  -0.111  -0.095  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.724  -1.278   0.235  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.335  -1.253   0.392  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.523  -0.804   0.794  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.686  -0.198  -0.013  0.00  0.00    +0.169 C 
ATOM     24  O   LIG    1       -6.905  -0.472   0.728  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -7.769   0.670   0.653  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -7.114   1.668  -0.276  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -5.651   1.326  -0.127  0.00  0.00    +0.049 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.788  -0.917  -1.373  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.361  -1.972  -1.602  0.00  0.00    -0.248 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.135  -0.294  -2.376  0.00  0.00    -0.479 OA
ATOM     31  H   LIG    1       -5.282  -0.877  -3.151  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9