REMARK  Name = BDB006946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.332  -0.384   1.006  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.412   0.461   1.611  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.834   0.973   1.199  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.325   1.842   2.171  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        2.544   2.453   1.979  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.295   2.238   0.882  0.00  0.00    -0.257 NA
ATOM      7  C   LIG    1        2.819   1.378  -0.065  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1        0.375   2.000   3.327  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -0.260   3.396   3.317  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.042   1.724   4.677  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.586   0.726   0.067  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -0.669   0.914   2.988  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.290  -0.804   1.667  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.128  -0.765  -0.466  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.531  -0.567  -1.173  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.280  -1.376  -1.170  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.562  -2.747  -0.699  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -3.646  -3.438  -1.569  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -3.956  -4.833  -1.028  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -4.897  -2.662  -1.624  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.537  -3.094  -2.289  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.609  -1.282  -2.044  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -3.353   0.870  -1.737  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.507   2.280   0.176  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -2.668   1.761  -0.849  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        3.671   1.108  -1.316  0.00  0.00    +0.196 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.198  -0.321  -1.350  0.00  0.00    -0.013 A 
ATOM     28  C   LIG    1        5.138  -0.759  -0.402  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        5.604  -2.074  -0.417  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.140  -2.967  -1.381  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.212  -2.546  -2.332  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.743  -1.230  -2.318  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
BRANCH  26  33
ATOM     33  O   LIG    1        4.811   1.976  -1.440  0.00  0.00    -0.369 OA
ATOM     34  C   LIG    1        4.477   3.252  -1.965  0.00  0.00    +0.195 C 
ENDBRANCH  26  33
ENDBRANCH   7  26
TORSDOF 7