REMARK  Name = BDB047454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.351   0.895   0.587  0.00  0.00    +0.175 A 
ATOM      2  N   LIG    1       -1.410   0.094   0.166  0.00  0.00    -0.300 N 
ATOM      3  C   LIG    1       -0.930  -1.186  -0.142  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.449  -1.189   0.088  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.174  -2.386  -0.109  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.524  -3.530  -0.579  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.834  -3.495  -0.861  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.577  -2.330  -0.657  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.795   0.124   0.500  0.00  0.00    +0.168 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -2.770   0.505   0.021  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -3.804  -0.315   0.487  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.135   0.086   0.341  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -5.450   1.310  -0.268  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -4.407   2.120  -0.741  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -3.074   1.725  -0.594  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.889   1.730  -0.443  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1       -7.429   1.251  -1.599  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -7.054   3.081  -0.486  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -7.701   1.288   0.558  0.00  0.00    -0.166 F 
ENDBRANCH  13  16
ENDBRANCH   2  10
BRANCH   1  21
ATOM     20  O   LIG    1       -1.415   2.728   1.703  0.00  0.00    -0.243 OA
ATOM     21  C   LIG    1       -0.475   2.231   1.101  0.00  0.00    +0.358 C 
BRANCH  21  22
ATOM     22  O   LIG    1        0.614   2.979   0.830  0.00  0.00    -0.476 OA
ATOM     23  H   LIG    1        0.413   3.838   1.252  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   9  24
ATOM     24  O   LIG    1        2.008   0.589   0.886  0.00  0.00    -0.453 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.145   0.299   0.172  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        4.301   0.034   0.907  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1        5.511  -0.241   0.251  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        5.536  -0.245  -1.153  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        4.382   0.042  -1.884  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        3.188   0.324  -1.222  0.00  0.00    +0.046 A 
BRANCH  27  31
ATOM     31  C   LIG    1        6.752  -0.562   1.045  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1        6.817   0.107   2.229  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.905  -0.260   0.385  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        6.836  -1.885   1.357  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7