REMARK  Name = BDB046844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.445  -0.930   1.405  0.00  0.00    +0.008 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.892  -1.094  -0.046  0.00  0.00    +0.074 C 
BRANCH   2  11
ATOM      3  O   LIG    1        5.419  -0.705  -3.125  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        5.003  -0.430  -2.006  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1        5.789   0.361  -1.045  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1        5.211   0.614   0.202  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        5.935   1.363   1.132  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        7.210   1.847   0.819  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        7.772   1.585  -0.431  0.00  0.00    +0.001 A 
ATOM     10  N   LIG    1        3.934   0.145   0.554  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        3.280  -0.551  -0.317  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        7.062   0.839  -1.371  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        3.771  -0.840  -1.565  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        3.231  -1.383  -2.224  0.00  0.00    +0.170 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.109  -1.614   1.715  0.00  0.00    +0.004 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.099  -1.140   0.884  0.00  0.00    -0.007 C 
ATOM     17  C   LIG    1       -1.391   0.357   1.049  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -2.568   0.791   0.167  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -3.748  -0.150   0.237  0.00  0.00    -0.044 C 
ATOM     20  C   LIG    1       -3.632  -1.393   0.740  0.00  0.00    -0.023 C 
ATOM     21  C   LIG    1       -2.347  -1.961   1.267  0.00  0.00    +0.031 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -5.046   0.343  -0.273  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -5.125   1.012  -1.502  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -6.349   1.491  -1.979  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -7.509   1.312  -1.230  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.447   0.655  -0.004  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.223   0.175   0.472  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5