REMARK  Name = BDB059523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.094  -0.342  -0.195  0.00  0.00    +0.320 A 
ATOM      2  N   LIG    1        2.615  -1.509  -0.593  0.00  0.00    -0.191 NA
ATOM      3  C   LIG    1        1.734  -2.495  -0.880  0.00  0.00    +0.152 A 
ATOM      4  C   LIG    1        0.367  -2.301  -0.772  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -0.075  -1.062  -0.345  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        0.791  -0.080  -0.062  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.248  -3.837  -1.371  0.00  0.00    +0.434 C 
ATOM      8  F   LIG    1        3.554  -4.078  -1.071  0.00  0.00    -0.164 F 
ATOM      9  F   LIG    1        2.137  -3.974  -2.723  0.00  0.00    -0.164 F 
ATOM     10  F   LIG    1        1.550  -4.886  -0.841  0.00  0.00    -0.164 F 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  N   LIG    1       -1.475  -0.870  -0.249  0.00  0.00    -0.299 N 
ATOM     12  H   LIG    1       -1.895  -1.639   0.260  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.199   0.324  -0.051  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1       -3.518   0.279   0.404  0.00  0.00    -0.023 A 
ATOM     15  C   LIG    1       -4.317  -0.916   0.839  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -5.747  -0.361   0.826  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -5.634   1.135   1.134  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -4.284   1.446   0.568  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -3.770   2.692   0.260  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.475   2.757  -0.245  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.708   1.588  -0.410  0.00  0.00    +0.023 A 
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  22
ATOM     22  O   LIG    1        2.925   0.713   0.112  0.00  0.00    -0.462 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.312   0.412  -0.042  0.00  0.00    +0.243 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.098   1.661   0.328  0.00  0.00    +0.161 C 
BRANCH  24  26
ATOM     25  O   LIG    1        7.129   0.403  -0.162  0.00  0.00    -0.251 OA
ATOM     26  C   LIG    1        6.571   1.427   0.191  0.00  0.00    +0.308 C 
BRANCH  26  27
ATOM     27  O   LIG    1        7.288   2.521   0.513  0.00  0.00    -0.481 OA
ATOM     28  H   LIG    1        8.220   2.247   0.385  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 8