REMARK  Name = BDB050226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207   0.442   0.462  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.563   0.825  -0.634  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.837   0.276  -0.827  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.358  -0.661   0.073  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        1.579  -1.046   1.169  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.309  -0.496   1.359  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.461   0.884   0.771  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.078   1.873  -0.061  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.771   1.248  -1.272  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -3.227  -1.904  -0.165  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -4.149  -0.793  -0.454  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -4.004   0.503  -0.901  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1       -5.240   1.104  -0.979  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1       -6.083   0.169  -0.578  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1       -5.480  -1.016  -0.242  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -7.537   0.230  -0.451  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -8.291  -0.865  -0.001  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -9.681  -0.778   0.111  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1      -10.336   0.405  -0.225  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -9.603   1.502  -0.672  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -8.213   1.414  -0.784  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        3.736  -1.244  -0.136  0.00  0.00    +0.043 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.778  -0.750   0.884  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1        5.147   0.724   0.703  0.00  0.00    +0.170 C 
ATOM     25  O   LIG    1        6.269   0.839  -0.166  0.00  0.00    -0.340 OA
ATOM     26  C   LIG    1        7.445   0.256   0.387  0.00  0.00    +0.267 C 
ATOM     27  C   LIG    1        8.192   1.302   1.217  0.00  0.00    +0.087 C 
ATOM     28  O   LIG    1        7.172  -0.871   1.249  0.00  0.00    -0.340 OA
ATOM     29  C   LIG    1        6.042  -1.604   0.770  0.00  0.00    +0.170 C 
BRANCH  26  30
ATOM     30  C   LIG    1        8.440  -0.228  -0.718  0.00  0.00    +0.365 C 
ATOM     31  O   LIG    1        8.603   0.281  -1.817  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        9.150  -1.323  -0.313  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        8.827  -1.600   0.575  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9