REMARK  Name = BDB055066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.758   1.539   0.569  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1   6
ATOM      2  O   LIG    1       -0.997   1.526   1.083  0.00  0.00    -0.253 OA
ATOM      3  C   LIG    1       -0.564   0.916   0.118  0.00  0.00    +0.300 C 
ATOM      4  N   LIG    1       -1.323   0.216  -0.789  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1       -0.823  -0.580  -1.160  0.00  0.00    +0.151 HD
ATOM      6  N   LIG    1        0.766   0.838  -0.218  0.00  0.00    -0.295 N 
ATOM      7  H   LIG    1        0.928   0.804  -1.212  0.00  0.00    +0.151 HD
BRANCH   4   8
ATOM      8  C   LIG    1       -2.777   0.048  -0.677  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -3.524   1.406  -0.688  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1       -5.046   1.188  -0.626  0.00  0.00    -0.008 C 
ATOM     11  C   LIG    1       -5.492   0.372  -1.849  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -4.782  -0.990  -1.857  0.00  0.00    -0.008 C 
ATOM     13  C   LIG    1       -5.136  -1.756  -0.573  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -4.688  -0.953   0.658  0.00  0.00    -0.008 C 
ATOM     15  C   LIG    1       -5.395   0.414   0.656  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -3.166  -0.737   0.600  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -3.263  -0.765  -1.909  0.00  0.00    +0.029 C 
ENDBRANCH   4   8
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        2.291   0.673   1.689  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        3.315  -0.285   1.500  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1        3.754  -1.044   2.602  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        3.184  -0.876   3.863  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.162   0.047   4.044  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        1.718   0.812   2.966  0.00  0.00    +0.005 A 
BRANCH  19  24
ATOM     24  C   LIG    1        3.965  -0.529   0.154  0.00  0.00    +0.157 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.000   0.440  -0.230  0.00  0.00    -0.337 N 
ATOM     26  C   LIG    1        5.554   0.560  -1.502  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1        6.435   1.634  -1.444  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        6.458   2.132  -0.127  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.583   1.368   0.605  0.00  0.00    +0.087 A 
BRANCH  26  30
ATOM     30  C   LIG    1        5.307  -0.235  -2.681  0.00  0.00    +0.353 C 
ATOM     31  O   LIG    1        5.729  -0.035  -3.810  0.00  0.00    -0.243 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.537  -1.315  -2.443  0.00  0.00    -0.476 OA
ATOM     33  H   LIG    1        4.513  -1.746  -3.324  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH   1  18
TORSDOF 7