REMARK  Name = BDB048128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.586   0.355  -0.286  0.00  0.00    +0.215 A 
ATOM      2  N   LIG    1       -1.433   1.001   0.543  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.584   0.366   0.851  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -2.956  -0.873   0.339  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1       -2.051  -1.511  -0.513  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.849  -0.887  -0.835  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.607   0.943  -0.649  0.00  0.00    -0.476 OA
BRANCH   7   8
ATOM      8  C   LIG    1        0.883   2.153   0.061  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.260   2.675  -0.351  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.450   2.159   2.769  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.841   1.657   1.442  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.382   1.837   0.153  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.161   1.103  -0.714  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.038   0.496   0.064  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.899   0.794   1.395  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.112  -0.425  -0.299  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.304  -0.769  -1.646  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.322  -1.647  -2.024  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.164  -2.194  -1.058  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.988  -1.864   0.284  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.969  -0.985   0.661  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       -4.280  -1.501   0.684  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.493  -1.060  -0.159  0.00  0.00    +0.169 C 
ATOM     24  O   LIG    1       -6.659  -1.624   0.497  0.00  0.00    -0.362 OA
ATOM     25  C   LIG    1       -7.768  -0.727   0.349  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -7.272   0.478  -0.419  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -5.784   0.440  -0.160  0.00  0.00    +0.049 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -5.396  -1.638  -1.596  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.064  -2.575  -2.012  0.00  0.00    -0.248 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -4.505  -1.018  -2.409  0.00  0.00    -0.479 OA
ATOM     31  H   LIG    1       -3.973  -0.307  -2.004  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9