REMARK  Name = BDB035891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.020  -3.212   1.538  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        3.244  -2.119   0.862  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1        1.851  -2.029   0.998  0.00  0.00    +0.141 A 
ATOM      4  C   LIG    1        1.145  -1.016   0.349  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -0.318  -0.923   0.539  0.00  0.00    +0.200 A 
ATOM      6  C   LIG    1       -0.937  -1.936   1.437  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -0.122  -2.849   1.985  0.00  0.00    +0.208 A 
ATOM      8  O   LIG    1       -0.976  -0.046  -0.011  0.00  0.00    -0.286 OA
ATOM      9  C   LIG    1        1.815  -0.084  -0.455  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.205  -0.160  -0.609  0.00  0.00    -0.032 A 
ATOM     11  O   LIG    1        1.230  -2.959   1.798  0.00  0.00    -0.462 OA
ATOM     12  C   LIG    1        3.906  -1.181   0.055  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.373  -1.925   1.760  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -2.969  -0.759   2.268  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -4.340  -0.709   2.585  0.00  0.00    -0.034 A 
ATOM     16  C   LIG    1       -5.100  -1.880   2.386  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.519  -3.044   1.882  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.162  -3.067   1.569  0.00  0.00    +0.009 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -5.018   0.560   3.143  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -4.128   1.827   3.124  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -5.329   0.280   4.637  0.00  0.00    +0.024 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -6.316   0.873   2.405  0.00  0.00    +0.143 A 
ATOM     23  N   LIG    1       -6.455   1.155   1.064  0.00  0.00    -0.320 N 
ATOM     24  C   LIG    1       -5.446   1.263   0.040  0.00  0.00    +0.151 C 
ATOM     25  C   LIG    1       -7.787   1.345   0.853  0.00  0.00    +0.224 A 
ATOM     26  N   LIG    1       -8.439   1.197   1.981  0.00  0.00    -0.138 NA
ATOM     27  N   LIG    1       -7.519   0.902   2.953  0.00  0.00    -0.134 NA
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH  10  28
ATOM     28  C   LIG    1        3.952   0.882  -1.419  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.899   0.290  -2.378  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1        5.947   1.240  -2.779  0.00  0.00    +0.088 C 
ATOM     31  C   LIG    1        5.459   2.341  -3.739  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        6.619   3.248  -4.156  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        4.794   1.718  -4.972  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1        3.710   0.726  -4.561  0.00  0.00    +0.016 C 
ATOM     35  C   LIG    1        4.242  -0.301  -3.554  0.00  0.00    +0.085 C 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 5