REMARK  Name = BDB055644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.980  -0.009   0.390  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.684   0.064   0.931  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.564  -0.232   0.122  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        1.788  -0.598  -1.206  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        0.559  -0.851  -1.776  0.00  0.00    -0.355 N 
ATOM      6  H   LIG    1        0.434  -1.163  -2.730  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.454  -0.640  -0.869  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        3.067  -0.680  -1.768  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.152  -0.269   0.317  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1        4.159  -0.378  -0.948  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.884  -0.851  -1.256  0.00  0.00    +0.155 C 
ATOM     12  C   LIG    1       -2.835   0.233  -0.814  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -2.832   1.583  -1.122  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -3.840   2.380  -0.578  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.828   1.821   0.254  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -4.834   0.448   0.567  0.00  0.00    +0.076 A 
ATOM     17  C   LIG    1       -3.824  -0.317   0.010  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1       -3.595  -1.681   0.153  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -4.141  -2.317   0.723  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -2.463  -2.093  -0.545  0.00  0.00    +0.231 C 
ATOM     21  O   LIG    1       -2.032  -3.234  -0.590  0.00  0.00    -0.274 OA
BRANCH  16  22
ATOM     22  C   LIG    1       -5.911  -0.120   1.442  0.00  0.00    +0.419 C 
ATOM     23  F   LIG    1       -5.692  -1.411   1.823  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -7.127  -0.120   0.828  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -6.079   0.584   2.596  0.00  0.00    -0.166 F 
ENDBRANCH  16  22
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  C   LIG    1        5.126   0.315   1.285  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        5.000   0.650   2.452  0.00  0.00    -0.245 OA
BRANCH  26  29
ATOM     28  C   LIG    1        7.451   0.477   1.422  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        6.304   0.184   0.623  0.00  0.00    -0.464 OA
ENDBRANCH  26  29
ENDBRANCH   1  26
BRANCH   9  30
ATOM     30  N   LIG    1       -0.586   0.013   1.555  0.00  0.00    -0.028 NA
ATOM     31  O   LIG    1        0.016   0.702   2.385  0.00  0.00    -0.143 OA
ENDBRANCH   9  30
TORSDOF 5