REMARK  Name = BDB033123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.092  -0.727   1.244  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.813   0.591   0.957  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.681   1.621   1.604  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.521   0.455  -0.235  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.092  -0.734  -0.934  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.650  -1.666   0.175  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.919  -2.657   1.734  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.229  -1.501   1.484  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.341  -0.503   1.156  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1       -1.666   0.458   1.153  0.00  0.00    +0.150 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.632  -1.061   1.590  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -4.560  -1.364   0.593  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -5.888  -0.964   0.737  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -6.281  -0.253   1.876  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -5.354   0.068   2.882  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -4.021  -0.348   2.732  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -5.775   0.821   4.122  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -5.822   0.023   5.222  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -4.921   1.837   4.427  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -7.008   1.389   4.015  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1       -4.166  -2.029  -0.532  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -4.946  -2.272  -1.058  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1        2.013   1.622  -0.945  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.230   1.325  -1.783  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        4.444   0.980  -1.166  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        5.591   0.700  -1.927  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        5.505   0.759  -3.325  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.304   1.101  -3.948  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.173   1.383  -3.181  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1        6.879   0.316  -1.242  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        7.146   1.083  -0.148  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.867  -0.973  -0.802  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.974   0.424  -2.047  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7