REMARK  Name = BDB033117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.525  -2.203  -0.372  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.418  -1.400  -1.268  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.234  -1.159  -2.453  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.494  -0.968  -0.494  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.192  -1.105   0.913  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.177  -2.233   0.983  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.654   0.051   1.044  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.315  -0.546   0.201  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.884  -1.690  -0.425  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1       -2.427  -1.965  -1.240  0.00  0.00    +0.150 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.667  -0.024  -0.187  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -4.425  -0.504  -1.266  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -5.672   0.053  -1.564  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -6.176   1.098  -0.786  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -5.444   1.595   0.300  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -4.188   1.032   0.584  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -5.970   2.742   1.130  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -7.328   2.848   1.090  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -5.489   3.944   0.714  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.646   2.639   2.448  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1       -3.957  -1.521  -2.057  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -4.556  -1.638  -2.815  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1        2.364   0.087  -0.980  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.738   0.047  -0.359  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.134   1.016   0.575  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        5.410   0.974   1.161  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.290  -0.058   0.800  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.903  -1.028  -0.125  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.634  -0.976  -0.700  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1        5.843   2.011   2.167  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        4.905   2.971   2.402  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.132   1.468   3.383  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.967   2.677   1.780  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7