REMARK  Name = BDB033115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.474   1.729   0.136  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -0.640   0.529  -0.031  0.00  0.00    +0.236 C 
ATOM      3  N   LIG    1       -1.663  -0.252   0.497  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.663  -1.587  -0.052  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -0.260  -1.786  -0.602  0.00  0.00    +0.050 C 
ATOM      6  C   LIG    1        0.194  -0.370  -0.942  0.00  0.00    +0.159 C 
ENDROOT
BRANCH   6   7
ATOM      7  N   LIG    1        1.647  -0.141  -0.879  0.00  0.00    -0.317 N 
ATOM      8  H   LIG    1        1.835   0.803  -1.219  0.00  0.00    +0.148 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.297  -0.234   0.373  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        3.685   0.007   0.440  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        4.256  -0.080   1.717  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1        5.619   0.152   1.855  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        6.434   0.462   0.761  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        5.887   0.550  -0.521  0.00  0.00    +0.056 A 
ATOM     15  N   LIG    1        3.547  -0.381   2.807  0.00  0.00    -0.235 NA
ATOM     16  C   LIG    1        2.243  -0.609   2.625  0.00  0.00    +0.223 A 
ATOM     17  C   LIG    1        4.514   0.312  -0.673  0.00  0.00    +0.025 A 
ATOM     18  N   LIG    1        1.585  -0.562   1.462  0.00  0.00    -0.220 NA
BRANCH  14  19
ATOM     19  C   LIG    1        6.755   0.850  -1.718  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        7.855   1.591  -1.410  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.219  -0.281  -2.316  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.098   1.546  -2.688  0.00  0.00    -0.166 F 
ENDBRANCH  14  19
ENDBRANCH   7   9
ENDBRANCH   6   7
BRANCH   3  23
ATOM     23  C   LIG    1       -2.766   0.284   1.269  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.974   0.603   0.409  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -5.150  -0.182   0.412  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -6.218   0.181  -0.433  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -6.131   1.297  -1.264  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.978   2.071  -1.264  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.910   1.729  -0.436  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -5.303  -1.395   1.303  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -5.195  -1.092   2.626  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.361  -2.348   1.057  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -6.503  -2.028   1.168  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6