REMARK  Name = BDB054338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.036   0.816   0.701  0.00  0.00    +0.006 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.130   0.761   1.770  0.00  0.00    +0.059 C 
BRANCH   2   5
ATOM      3  C   LIG    1        2.333  -2.380   2.032  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1        2.833  -1.157   1.383  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        2.377   0.138   1.256  0.00  0.00    +0.083 A 
ATOM      6  N   LIG    1        3.282   0.873   0.524  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1        4.246   0.017   0.239  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1        4.033  -1.244   0.736  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.476   0.231  -0.518  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        5.749   1.500  -1.052  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        6.918   1.734  -1.782  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.829   0.702  -1.987  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.574  -0.565  -1.464  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.405  -0.799  -0.734  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.246   1.446   1.248  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.320   1.683   0.180  0.00  0.00    +0.008 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.777   0.445  -0.619  0.00  0.00    +0.041 C 
ATOM     18  C   LIG    1       -3.793   0.878  -1.685  0.00  0.00    +0.169 C 
ATOM     19  O   LIG    1       -4.811  -0.108  -1.812  0.00  0.00    -0.340 OA
ATOM     20  C   LIG    1       -5.567  -0.230  -0.613  0.00  0.00    +0.267 C 
ATOM     21  C   LIG    1       -6.380  -1.519  -0.705  0.00  0.00    +0.087 C 
ATOM     22  O   LIG    1       -4.741  -0.310   0.575  0.00  0.00    -0.340 OA
ATOM     23  C   LIG    1       -3.396  -0.654   0.246  0.00  0.00    +0.169 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -6.576   0.939  -0.368  0.00  0.00    +0.365 C 
ATOM     25  O   LIG    1       -7.277   1.471  -1.216  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.590   1.327   0.940  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -5.906   0.802   1.419  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8