REMARK  Name = BDB054342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.154   1.164   0.833  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        1.792   1.383  -2.474  0.00  0.00    +0.088 C 
ATOM      3  C   LIG    1        2.598   0.969  -1.313  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.378   0.865   0.044  0.00  0.00    +0.083 A 
ATOM      5  N   LIG    1        3.522   0.409   0.659  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1        4.385   0.251  -0.328  0.00  0.00    +0.228 A 
ATOM      7  O   LIG    1        3.883   0.578  -1.562  0.00  0.00    -0.440 OA
BRANCH   6   8
ATOM      8  C   LIG    1        5.769  -0.213  -0.280  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        6.560  -0.318  -1.434  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        7.882  -0.766  -1.356  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        8.430  -1.115  -0.123  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.658  -1.018   1.033  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.337  -0.570   0.954  0.00  0.00    +0.013 A 
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1        0.166  -0.004   0.826  0.00  0.00    +0.006 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.061   0.234   1.710  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.929   1.439   1.334  0.00  0.00    +0.002 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.452   1.455  -0.107  0.00  0.00    +0.028 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.334   0.262  -0.476  0.00  0.00    +0.161 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -4.452   0.226   0.408  0.00  0.00    -0.363 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -5.362  -0.870   0.252  0.00  0.00    +0.160 C 
ATOM     21  C   LIG    1       -6.454  -0.595   1.299  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -5.985  -0.839  -1.151  0.00  0.00    +0.053 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.765  -2.276   0.555  0.00  0.00    +0.336 C 
ATOM     24  O   LIG    1       -3.615  -2.485   0.915  0.00  0.00    -0.248 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.632  -3.308   0.396  0.00  0.00    -0.479 OA
ATOM     26  H   LIG    1       -6.540  -3.062   0.141  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 11