REMARK  Name = BDB004980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.811  -1.126   2.736  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        0.450  -1.640   1.339  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.666  -1.567   0.420  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        2.245  -0.332   0.070  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        3.356  -0.261  -0.783  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        3.892  -1.444  -1.288  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        3.328  -2.677  -0.951  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.223  -2.740  -0.105  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.861   1.024  -1.072  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        3.371   1.796  -0.637  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.905   1.343  -1.912  0.00  0.00    +0.226 C 
ATOM     12  O   LIG    1        5.601   0.580  -2.564  0.00  0.00    -0.275 OA
BRANCH  11  13
ATOM     13  C   LIG    1        5.211   2.790  -1.976  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1        4.153   3.803  -2.188  0.00  0.00    +0.261 C 
ATOM     15  F   LIG    1        2.828   3.439  -2.239  0.00  0.00    -0.205 F 
ATOM     16  F   LIG    1        4.217   5.008  -1.529  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        5.067   3.511  -3.311  0.00  0.00    +0.095 C 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  N   LIG    1       -0.619  -0.830   0.741  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -0.603  -0.922  -0.273  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.939  -1.091   1.167  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1       -2.997  -0.319   0.641  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -4.295  -0.638   1.085  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -5.367   0.116   0.561  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.149   1.157  -0.364  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -3.866   1.471  -0.782  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1       -4.483  -1.631   1.983  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1       -3.406  -2.284   2.433  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1       -2.799   0.740  -0.281  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1       -2.145  -2.062   2.068  0.00  0.00    -0.220 NA
BRANCH  23  30
ATOM     30  C   LIG    1       -6.797  -0.118   0.937  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1       -7.705   0.564   0.472  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1       -7.083  -1.118   1.819  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1       -6.342  -1.677   2.231  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1       -8.043  -1.271   2.092  0.00  0.00    +0.145 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6