REMARK  Name = BDB033100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.399   0.842   2.115  0.00  0.00    +0.022 C 
ATOM      2  C   LIG    1        0.282  -0.687   2.102  0.00  0.00    +0.061 C 
ATOM      3  C   LIG    1        0.379  -1.334   0.699  0.00  0.00    +0.105 C 
ATOM      4  C   LIG    1       -1.032  -1.167   0.128  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -1.858  -1.316   1.306  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -1.154  -1.051   2.475  0.00  0.00    +0.223 C 
ATOM      7  O   LIG    1       -1.615  -1.053   3.606  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        1.280  -1.299   3.084  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   3   9
ATOM      9  N   LIG    1        1.511  -0.941  -0.132  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.263  -1.614  -0.195  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        1.591   0.214  -0.876  0.00  0.00    +0.248 C 
ATOM     12  O   LIG    1        0.674   1.019  -0.996  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        2.860   0.465  -1.617  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        2.842   1.291  -2.751  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1        4.008   1.530  -3.476  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        5.214   0.965  -3.064  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        5.266   0.155  -1.920  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.082  -0.080  -1.194  0.00  0.00    +0.029 A 
BRANCH  17  19
ATOM     19  C   LIG    1        6.580  -0.421  -1.446  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        7.201   0.384  -0.543  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.473  -0.626  -2.452  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.428  -1.627  -0.830  0.00  0.00    -0.166 F 
ENDBRANCH  17  19
BRANCH  14  23
ATOM     23  O   LIG    1        1.710   1.907  -3.213  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1        1.009   1.806  -2.530  0.00  0.00    +0.292 HD
ENDBRANCH  14  23
ENDBRANCH  11  13
ENDBRANCH   3   9
BRANCH   5  25
ATOM     25  C   LIG    1       -3.303  -1.432   1.244  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.969  -0.118   0.885  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -4.553   0.128  -0.380  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1       -5.133   1.387  -0.631  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -5.139   2.385   0.342  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.568   2.143   1.585  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.990   0.903   1.855  0.00  0.00    +0.006 A 
BRANCH  27  32
ATOM     32  C   LIG    1       -4.585  -0.924  -1.465  0.00  0.00    +0.418 C 
ATOM     33  F   LIG    1       -3.342  -1.356  -1.819  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -5.274  -2.038  -1.091  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -5.169  -0.503  -2.623  0.00  0.00    -0.166 F 
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7