REMARK  Name = BDB056542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.760   0.625   0.429  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -1.759  -0.118  -0.182  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -1.594  -1.356  -1.000  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -2.745  -2.333  -0.782  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -3.976  -1.920  -1.429  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -4.451  -2.604  -2.006  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.788  -0.856  -1.135  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -4.362   0.252  -0.245  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -5.363   1.119   0.235  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -5.038   2.202   1.036  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -6.014   3.006   1.479  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.722   2.485   1.387  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.732   1.625   0.901  0.00  0.00    +0.051 A 
ATOM     14  O   LIG    1       -5.912  -0.835  -1.635  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -3.014   0.513   0.101  0.00  0.00    +0.016 A 
ATOM     16  N   LIG    1       -1.370   1.673   1.072  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1       -0.881   2.376   1.609  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        3.481   0.108   0.591  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1        2.918   1.195  -0.095  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        1.533   1.363  -0.150  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        0.686   0.444   0.476  0.00  0.00    -0.001 A 
ATOM     22  C   LIG    1        1.241  -0.644   1.158  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        2.627  -0.812   1.214  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        4.981  -0.066   0.645  0.00  0.00    +0.116 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.956  -0.586  -0.625  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        5.520  -0.360  -0.682  0.00  0.00    -0.315 NA
ATOM     27  H   LIG    1        5.057  -1.191  -1.047  0.00  0.00    +0.122 HD
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 3