REMARK  Name = BDB048792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.600  -1.067   1.580  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.725  -0.555   0.992  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.923  -1.093   1.473  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -4.122  -0.647   0.938  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -5.505  -1.058   1.333  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -6.310  -0.576   0.119  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -5.574   0.671  -0.428  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -4.151   0.332  -0.060  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.972   0.883  -0.534  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.755   0.429  -0.008  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.807   0.891  -1.922  0.00  0.00    +0.128 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.228   1.282  -2.215  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1       -8.091   1.605  -1.417  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.490   1.271  -3.537  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -8.427   1.551  -3.599  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.656  -0.535   1.152  0.00  0.00    +0.235 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.760  -1.237   1.937  0.00  0.00    +0.100 C 
BRANCH  17  20
ATOM     18  C   LIG    1        3.890   0.548   3.839  0.00  0.00    +0.088 C 
ATOM     19  C   LIG    1        3.945   0.056   2.452  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1        3.101  -0.675   1.644  0.00  0.00    +0.086 A 
ATOM     21  N   LIG    1        3.684  -0.844   0.408  0.00  0.00    -0.214 NA
ATOM     22  C   LIG    1        4.848  -0.229   0.507  0.00  0.00    +0.228 A 
ATOM     23  O   LIG    1        5.069   0.346   1.732  0.00  0.00    -0.440 OA
BRANCH  22  24
ATOM     24  C   LIG    1        5.902  -0.079  -0.494  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        7.086   0.624  -0.228  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        8.077   0.751  -1.206  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.896   0.176  -2.462  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.726  -0.526  -2.742  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.736  -0.652  -1.764  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8