REMARK  Name = BDB047399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.262   1.462   1.653  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.092   0.844   2.416  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1        0.797   1.304   2.731  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        0.477   1.582   4.074  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.428   1.428   5.081  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.707   0.986   4.761  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        3.038   0.692   3.435  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        2.320   0.555   1.096  0.00  0.00    -0.492 OA
BRANCH   8   9
ATOM      9  C   LIG    1        3.654   0.229   0.708  0.00  0.00    +0.229 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.661   0.038  -0.806  0.00  0.00    +0.041 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.061  -0.271  -1.331  0.00  0.00    +0.003 C 
BRANCH  11  13
ATOM     12  C   LIG    1        6.455  -0.749  -3.376  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        5.055  -0.484  -2.845  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  O   LIG    1       -1.019   2.654   1.885  0.00  0.00    -0.387 OA
ATOM     15  H   LIG    1       -0.370   3.355   2.070  0.00  0.00    +0.210 HD
ENDBRANCH   1  14
BRANCH   1  16
ATOM     16  C   LIG    1       -1.215   0.258   1.623  0.00  0.00    +0.036 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.235   0.304   0.478  0.00  0.00    +0.003 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.610   0.011  -0.887  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.564   0.190  -2.073  0.00  0.00    +0.001 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.783  -0.737  -2.072  0.00  0.00    +0.011 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.026  -0.090  -1.468  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.213  -1.011  -1.588  0.00  0.00    +0.307 C 
ATOM     23  O   LIG    1       -7.047  -0.942  -2.481  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -6.208  -1.930  -0.582  0.00  0.00    -0.468 OA
ATOM     25  C   LIG    1       -7.300  -2.847  -0.633  0.00  0.00    +0.280 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 15