REMARK  Name = BDB005030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.053  -0.253  -2.926  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.368   0.018  -1.584  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.150   0.040  -1.747  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.873   1.197  -1.399  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        3.265   1.242  -1.513  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        3.940   0.113  -1.993  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        3.240  -1.042  -2.343  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.853  -1.080  -2.217  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        4.052   2.358  -1.165  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        5.056   2.248  -1.284  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        3.625   3.576  -0.630  0.00  0.00    +0.296 C 
ATOM     12  O   LIG    1        2.456   3.886  -0.422  0.00  0.00    -0.269 OA
BRANCH  11  13
ATOM     13  C   LIG    1        4.797   4.521  -0.375  0.00  0.00    +0.415 C 
ATOM     14  F   LIG    1        5.249   5.061  -1.550  0.00  0.00    -0.185 F 
ATOM     15  F   LIG    1        5.870   3.819   0.118  0.00  0.00    -0.185 F 
BRANCH  13  16
ATOM     16  C   LIG    1        4.387   5.617   0.596  0.00  0.00    +0.463 C 
ATOM     17  F   LIG    1        3.397   6.409   0.122  0.00  0.00    -0.165 F 
ATOM     18  F   LIG    1        5.438   6.438   0.865  0.00  0.00    -0.165 F 
ATOM     19  F   LIG    1        3.981   5.113   1.788  0.00  0.00    -0.165 F 
ENDBRANCH  13  16
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  20
ATOM     20  N   LIG    1       -0.701  -1.025  -0.605  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        0.017  -1.066   0.114  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.948  -0.909   0.051  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -2.308  -1.870   1.021  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -3.551  -1.687   1.659  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -3.920  -2.619   2.653  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -3.085  -3.701   2.992  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -1.875  -3.885   2.342  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1       -4.346  -0.647   1.323  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -3.916   0.188   0.370  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -1.490  -2.977   1.363  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -2.757   0.107  -0.279  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1       -5.201  -2.531   3.421  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1       -5.402  -3.218   4.417  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -6.157  -1.658   2.991  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -6.958  -1.503   3.587  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -5.923  -0.960   2.290  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 7