REMARK  Name = BDB048797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.545  -0.321   1.087  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1        2.316   0.352   0.961  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.121  -0.375   0.776  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.194  -1.765   0.741  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1       -0.085  -2.229   0.557  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -0.338  -3.204   0.494  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.981  -1.190   0.490  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        2.398  -2.465   0.870  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.256  -0.006   0.588  0.00  0.00    -0.010 A 
ATOM     10  C   LIG    1        3.569  -1.720   1.041  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.409  -1.427   0.319  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -3.302  -1.135   1.355  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.670  -1.362   1.190  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.151  -1.881  -0.012  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.266  -2.172  -1.050  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.898  -1.947  -0.884  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
BRANCH   1  17
ATOM     17  C   LIG    1        4.821   0.462   1.295  0.00  0.00    +0.155 C 
BRANCH  17  19
ATOM     18  O   LIG    1        4.588   1.561  -0.881  0.00  0.00    -0.251 OA
ATOM     19  C   LIG    1        5.223   1.361   0.141  0.00  0.00    +0.309 C 
BRANCH  19  20
ATOM     20  O   LIG    1        6.413   1.977   0.367  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1        6.827   1.748   1.220  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   9  22
ATOM     22  C   LIG    1       -0.789   1.393   0.526  0.00  0.00    +0.073 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -0.983   1.723  -0.936  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        0.107   2.056  -1.754  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -0.082   2.364  -3.103  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.363   2.345  -3.650  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.456   2.016  -2.851  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.268   1.709  -1.502  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 6