REMARK  Name = BDB050619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.088   0.733  -0.201  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -2.779  -0.568  -0.217  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.848  -1.597   0.030  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.233  -2.929   0.071  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.581  -3.228  -0.140  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.501  -2.201  -0.385  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -5.788  -2.516  -0.585  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.553  -0.929   0.197  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        0.608  -1.549   0.458  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -4.116  -0.863  -0.427  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -0.784   0.497   0.037  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.895  -0.869   0.620  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        2.562  -0.322  -0.481  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        3.784   0.324  -0.340  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1        4.367   0.427   0.948  0.00  0.00    +0.089 A 
ATOM     16  N   LIG    1        5.550   1.044   1.137  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1        6.143   1.554   0.036  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1        5.576   1.455  -1.218  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1        3.700  -0.122   2.036  0.00  0.00    +0.030 A 
ATOM     20  N   LIG    1        4.392   0.841  -1.427  0.00  0.00    -0.252 NA
ATOM     21  C   LIG    1        2.472  -0.769   1.884  0.00  0.00    +0.010 A 
ENDBRANCH   9  12
BRANCH   1  22
ATOM     22  C   LIG    1       -2.753   2.043  -0.443  0.00  0.00    +0.156 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -3.687   1.992   1.840  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -3.596   2.493   0.733  0.00  0.00    +0.309 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -4.299   3.610   0.441  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.784   3.802   1.272  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 4