REMARK  Name = BDB043942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769   1.121   0.071  0.00  0.00    +0.115 C 
ATOM      2  C   LIG    1       -1.596  -0.034   0.647  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.860  -0.357   0.111  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -3.609  -1.409   0.658  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -3.131  -2.117   1.760  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.905  -1.779   2.323  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.399   0.403  -1.074  0.00  0.00    +0.050 C 
ATOM      8  C   LIG    1       -2.699   1.752  -1.245  0.00  0.00    +0.086 C 
ATOM      9  C   LIG    1       -1.147  -0.742   1.777  0.00  0.00    +0.006 A 
ATOM     10  N   LIG    1       -1.245   1.598  -1.244  0.00  0.00    -0.305 NA
ATOM     11  H   LIG    1       -0.983   0.900  -1.939  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        3.495   0.319  -0.273  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.033   1.491   0.328  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.664   1.746   0.439  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        0.725   0.823  -0.044  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        1.199  -0.347  -0.661  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        2.572  -0.600  -0.770  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.376  -0.977  -0.929  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.857   0.195  -0.314  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 2