REMARK  Name = BDB007555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.142  -0.160  -1.251  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.305  -0.930  -0.311  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.461  -1.982  -0.039  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.589  -2.553   0.785  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.472  -0.765   0.591  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.665  -0.259   0.044  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        4.802  -0.052   0.834  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        4.721  -0.412   2.185  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        3.534  -0.899   2.729  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        3.487  -1.208   4.031  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        2.401  -1.072   1.949  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  N   LIG    1        6.033   0.367   0.333  0.00  0.00    -0.341 N 
ATOM     13  H   LIG    1        6.626   0.796   1.041  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.200   0.939  -1.008  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1        7.691   0.888  -1.372  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1        7.992   1.915  -2.450  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1        7.733   3.254  -2.030  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1        6.771   3.393  -0.986  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1        5.650   2.371  -1.083  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1       -0.798  -2.146  -0.746  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.934  -1.405  -0.031  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.188  -2.049   1.232  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -3.119  -1.821   1.437  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.228  -1.426  -0.871  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.397  -0.958  -0.088  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.644  -1.320  -0.800  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.897  -0.756  -0.165  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.832   0.345   0.705  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.008   0.865   1.261  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.246   0.313   0.933  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.317  -0.762   0.051  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.493   0.920   1.088  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.149  -1.293  -0.498  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.374   0.501   0.124  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 8