REMARK  Name = BDB054823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.162  -0.421  -0.129  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.150  -0.854   1.194  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.071  -1.718   1.646  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.826  -0.400   2.074  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.808   0.489   1.628  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.820   0.925   0.294  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.836   0.449  -0.587  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.763  -1.492  -2.089  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.170  -0.914  -1.083  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.517  -0.684  -0.832  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.500  -1.258  -1.755  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.901  -1.392  -1.136  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1        5.366  -0.108  -0.613  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1        4.379   0.867  -0.153  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1        3.047   0.188   0.226  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.673  -0.001  -0.198  0.00  0.00    +0.218 A 
ATOM     17  N   LIG    1        7.083   1.145   0.373  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1        8.372   1.232   0.753  0.00  0.00    +0.116 A 
ATOM     19  C   LIG    1        9.280   0.220   0.591  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        8.782  -0.912   0.003  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        7.502  -1.042  -0.393  0.00  0.00    -0.223 NA
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.899   1.858  -0.206  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.041   1.109  -0.880  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -5.192   0.609  -0.048  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -5.321   0.924   1.304  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -4.927   1.825   1.558  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -6.563   0.624   2.012  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -7.092  -0.734   1.561  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -7.254  -0.781   0.037  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -6.084  -0.168  -0.683  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -5.961  -0.425  -2.135  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -6.773  -1.119  -2.738  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -4.908   0.183  -2.765  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -4.794   0.003  -3.757  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -3.932   0.915  -2.163  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4