REMARK  Name = BDB000446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272  -0.020   1.211  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.996  -0.748   0.263  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        3.363  -0.527   0.161  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        4.324  -1.167  -0.790  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1        5.668  -0.832  -0.127  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1        5.478   0.496   0.644  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1        4.010   0.412   0.971  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1        3.305   1.141   1.912  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.930   0.917   2.027  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -0.074  -0.120   1.441  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -0.792  -1.095   0.685  0.00  0.00    +0.232 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.248  -1.052   1.131  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.096  -2.055   0.360  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.446  -2.036   0.823  0.00  0.00    -0.492 OA
BRANCH  14  18
ATOM     15  C   LIG    1       -5.721   1.687  -2.239  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.057   0.591  -1.271  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1       -5.038  -0.201  -0.715  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -5.339  -1.201   0.211  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -6.667  -1.394   0.598  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -7.686  -0.605   0.063  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -7.381   0.387  -0.866  0.00  0.00    +0.003 A 
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  22
ATOM     22  C   LIG    1        5.781   1.737  -0.199  0.00  0.00    +0.128 C 
BRANCH  22  23
ATOM     23  C   LIG    1        7.263   1.933  -0.405  0.00  0.00    +0.305 C 
ATOM     24  O   LIG    1        8.143   1.222   0.051  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        7.535   3.017  -1.170  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        6.741   3.503  -1.462  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 9