REMARK  Name = BDB054405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.314  -0.637  -0.477  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        0.538   0.354   0.481  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.510   0.822   1.292  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -1.815   0.287   1.142  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -2.840   0.804   1.978  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -2.569   1.772   2.954  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -1.281   2.275   3.093  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.001  -0.744   0.190  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.264   1.809   2.262  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -0.949  -1.201  -0.607  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.254   0.371   1.869  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1       -4.825   0.571   0.630  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -4.276   1.082  -0.050  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1       -4.830  -0.070   2.855  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -6.234   0.307   0.305  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1       -7.162   1.211   1.131  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -6.589  -1.170   0.538  0.00  0.00    +0.031 C 
ATOM     18  C   LIG    1       -6.445   0.623  -1.187  0.00  0.00    +0.031 C 
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  O   LIG    1        1.307  -1.161  -1.275  0.00  0.00    -0.455 OA
BRANCH  19  28
ATOM     20  C   LIG    1        6.339  -0.709  -0.928  0.00  0.00    +0.164 A 
ATOM     21  C   LIG    1        5.437  -1.622  -0.359  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        4.074  -1.494  -0.636  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        3.599  -0.462  -1.476  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.507   0.450  -2.043  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1        4.117   1.452  -2.851  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        2.802   1.578  -3.136  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1        1.828   0.743  -2.636  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        2.236  -0.275  -1.781  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        5.858   0.310  -1.759  0.00  0.00    +0.077 A 
BRANCH  20  31
ATOM     30  C   LIG    1        8.608  -0.002  -1.189  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        7.663  -0.892  -0.612  0.00  0.00    -0.491 OA
ENDBRANCH  20  31
BRANCH  21  32
ATOM     32  O   LIG    1        5.979  -2.591   0.446  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        5.096  -3.535   1.034  0.00  0.00    +0.277 C 
ENDBRANCH  21  32
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 6