REMARK  Name = BDB018542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.531  -4.128   4.159  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        2.385  -3.497   3.523  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        1.115  -4.008   3.754  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        0.860  -4.978   4.462  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.003  -3.301   3.073  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.228  -2.228   2.292  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1        1.603  -1.737   2.090  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.601  -2.396   2.713  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.965  -1.632   1.660  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.899  -0.910   2.397  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -2.979  -0.293   1.865  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1       -3.152  -0.377   0.533  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1       -2.289  -1.102  -0.281  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -1.185  -1.736   0.288  0.00  0.00    +0.013 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -4.265   0.301   0.031  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -4.675   0.698   0.879  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -3.939   1.355  -0.932  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1       -4.937   2.514  -0.805  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -5.009   3.089  -2.208  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -5.036   1.844  -3.076  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -4.090   0.866  -2.383  0.00  0.00    +0.022 C 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  22
ATOM     22  C   LIG    1        1.887  -0.603   1.258  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        2.837  -0.541   0.260  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1        2.748   0.713  -0.316  0.00  0.00    -0.238 N 
ATOM     25  N   LIG    1        1.806   1.456   0.299  0.00  0.00    -0.174 NA
ATOM     26  C   LIG    1        1.289   0.667   1.240  0.00  0.00    +0.143 A 
BRANCH  24  27
ATOM     27  C   LIG    1        3.523   1.242  -1.393  0.00  0.00    +0.085 A 
ATOM     28  C   LIG    1        3.200   2.466  -2.021  0.00  0.00    +0.112 A 
ATOM     29  C   LIG    1        4.026   2.929  -3.054  0.00  0.00    +0.143 A 
ATOM     30  F   LIG    1        3.747   4.084  -3.678  0.00  0.00    -0.204 F 
ATOM     31  C   LIG    1        5.144   2.218  -3.478  0.00  0.00    +0.040 A 
ATOM     32  C   LIG    1        5.458   1.011  -2.869  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.655   0.523  -1.835  0.00  0.00    +0.029 A 
BRANCH  28  34
ATOM     34  C   LIG    1        2.045   3.271  -1.730  0.00  0.00    +0.104 C 
ATOM     35  N   LIG    1        1.120   3.955  -1.570  0.00  0.00    -0.191 NA
ENDBRANCH  28  34
ENDBRANCH  24  27
ENDBRANCH   7  22
TORSDOF 6