REMARK  Name = BDB056718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.908  -0.849   0.106  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.691  -0.483  -0.481  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.674  -0.057   0.384  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.836  -0.016   1.765  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.307   0.424   2.381  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.178   0.647   1.414  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -2.059  -0.406   2.334  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.612   0.387   0.182  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.253   0.545  -1.101  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -3.092  -0.830   1.490  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.897  -1.325  -0.724  0.00  0.00    -0.438 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -8.530  -1.039  -2.207  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -7.305  -0.408  -1.619  0.00  0.00    -0.044 A 
ATOM     14  C   LIG    1       -6.138  -1.153  -1.435  0.00  0.00    +0.071 A 
ATOM     15  C   LIG    1       -5.038  -0.537  -0.852  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1       -5.026   0.755  -0.454  0.00  0.00    -0.221 NA
ATOM     17  C   LIG    1       -6.168   1.450  -0.626  0.00  0.00    +0.115 A 
ATOM     18  C   LIG    1       -7.320   0.920  -1.190  0.00  0.00    +0.023 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.574   1.148   1.613  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.453   0.271   0.907  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.783   0.586   0.915  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.580  -0.242   0.120  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        6.962  -0.033   0.033  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        7.549   1.014   0.751  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        6.756   1.839   1.549  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.377   1.626   1.632  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.755  -0.938  -0.832  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        7.314  -1.844  -1.514  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        9.072  -0.664  -0.804  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        9.462  -1.333  -1.405  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7