REMARK  Name = BDB054344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.101   1.201   0.677  0.00  0.00    +0.006 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.214   1.254   1.728  0.00  0.00    +0.059 C 
BRANCH   2   5
ATOM      3  C   LIG    1        2.545  -1.606   2.921  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1        2.945  -0.675   1.853  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        2.432   0.496   1.337  0.00  0.00    +0.083 A 
ATOM      6  N   LIG    1        3.246   0.945   0.322  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1        4.211   0.046   0.254  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1        4.087  -0.971   1.165  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.363  -0.005  -0.643  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        5.544   1.009  -1.596  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        6.636   0.987  -2.468  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.563  -0.051  -2.397  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.399  -1.065  -1.456  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.306  -1.043  -0.585  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.536  -0.187   0.552  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.583  -0.284  -0.566  0.00  0.00    +0.008 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.804   0.643  -0.433  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1       -3.677   0.346   0.789  0.00  0.00    +0.169 C 
ATOM     19  O   LIG    1       -4.828  -0.393   0.394  0.00  0.00    -0.340 OA
ATOM     20  C   LIG    1       -5.678   0.388  -0.457  0.00  0.00    +0.267 C 
ATOM     21  C   LIG    1       -6.613  -0.580  -1.185  0.00  0.00    +0.087 C 
ATOM     22  O   LIG    1       -4.943   1.116  -1.450  0.00  0.00    -0.340 OA
ATOM     23  C   LIG    1       -3.663   0.548  -1.696  0.00  0.00    +0.169 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -6.565   1.371   0.372  0.00  0.00    +0.365 C 
ATOM     25  O   LIG    1       -6.687   2.577   0.212  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -7.240   0.771   1.383  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -7.721   1.511   1.809  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8