REMARK  Name = BDB010679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.587  -2.998   0.119  0.00  0.00    +0.245 A 
ATOM      2  C   LIG    1       -0.362  -2.044   0.423  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1       -1.689  -2.297   0.131  0.00  0.00    +0.186 A 
ATOM      4  N   LIG    1       -2.485  -1.254   0.498  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1       -1.679  -0.352   1.027  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -2.129  -3.428  -0.442  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -1.143  -4.297  -0.706  0.00  0.00    +0.244 A 
ATOM      8  N   LIG    1       -0.364  -0.787   0.978  0.00  0.00    -0.314 N 
ATOM      9  N   LIG    1        0.180  -4.140  -0.457  0.00  0.00    -0.185 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.114   0.938   1.552  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -2.507   1.951   0.669  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.897   3.209   1.149  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -3.339   4.278   0.195  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -2.928   3.430   2.531  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.559   2.417   3.418  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.155   1.174   2.931  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   7  17
ATOM     17  C   LIG    1       -1.567  -5.590  -1.355  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1       -2.699  -5.928  -1.656  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -0.530  -6.426  -1.607  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -0.958  -7.205  -2.019  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   7  17
BRANCH   1  21
ATOM     21  O   LIG    1        1.920  -2.781   0.384  0.00  0.00    -0.475 OA
BRANCH  21  23
ATOM     22  C   LIG    1        3.218  -3.714  -1.444  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        2.795  -3.849   0.009  0.00  0.00    +0.227 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   8  24
ATOM     24  C   LIG    1        0.799  -0.043   1.442  0.00  0.00    +0.159 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.246   0.997   0.442  0.00  0.00    -0.028 A 
ATOM     26  C   LIG    1        1.861   0.624  -0.761  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        2.260   1.592  -1.686  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        2.049   2.954  -1.432  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        1.449   3.328  -0.222  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        1.052   2.361   0.704  0.00  0.00    +0.006 A 
BRANCH  28  31
ATOM     31  C   LIG    1        2.496   4.002  -2.421  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        3.756   4.450  -2.165  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        2.513   3.552  -3.708  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        1.699   5.106  -2.425  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   8  24
TORSDOF 8