REMARK  Name = BDB048105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.031   1.169   1.313  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -2.682   1.657   0.057  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -1.419   1.953  -0.322  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -0.452   1.757   0.600  0.00  0.00    +0.215 A 
ATOM      5  C   LIG    1       -0.692   1.283   1.879  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -2.003   0.984   2.240  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.462   0.848   1.653  0.00  0.00    +0.079 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.998  -0.435   0.999  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.432  -1.651   1.741  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -4.949  -2.262   2.662  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -3.235  -2.047   1.260  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -2.990  -2.815   1.817  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.428  -0.353   1.062  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -8.576  -1.155   0.407  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -7.079  -1.354   0.281  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        0.863   2.039   0.292  0.00  0.00    -0.476 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.049   2.470  -1.058  0.00  0.00    +0.237 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.538   2.706  -1.311  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.337   1.450  -1.351  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        3.321   0.421  -2.270  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        2.563   0.130  -3.498  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        4.243  -0.508  -1.877  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        4.787   0.013  -0.732  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1        4.284   1.183  -0.386  0.00  0.00    -0.214 NA
BRANCH  23  25
ATOM     25  C   LIG    1        5.823  -0.777  -0.073  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.253  -2.013  -0.581  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        7.248  -2.747   0.072  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.825  -2.256   1.241  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.409  -1.031   1.759  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.415  -0.298   1.106  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11