REMARK  Name = BDB054404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.202  -0.759  -1.416  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -1.031  -1.518  -2.241  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.423  -1.338  -2.229  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -3.006  -0.396  -1.345  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -4.419  -0.262  -1.364  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -5.214  -0.993  -2.256  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -4.622  -1.906  -3.120  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.139   0.359  -0.516  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.239  -2.083  -3.098  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -0.755   0.171  -0.541  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.142   0.640  -0.440  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1       -5.015   0.335   0.897  0.00  0.00    -0.303 N 
ATOM     13  H   LIG    1       -4.379  -0.403   1.178  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1       -5.835   1.551  -0.871  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -5.564   1.224   1.920  0.00  0.00    +0.217 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.655   2.392   2.310  0.00  0.00    +0.405 C 
ATOM     17  F   LIG    1       -3.466   1.928   2.769  0.00  0.00    -0.169 F 
ATOM     18  F   LIG    1       -4.396   3.220   1.279  0.00  0.00    -0.169 F 
ATOM     19  F   LIG    1       -5.211   3.123   3.302  0.00  0.00    -0.169 F 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  O   LIG    1        1.147  -1.027  -1.484  0.00  0.00    -0.455 OA
BRANCH  20  29
ATOM     21  C   LIG    1        5.060   0.215   1.477  0.00  0.00    +0.164 A 
ATOM     22  C   LIG    1        4.193  -0.890   1.478  0.00  0.00    +0.162 A 
ATOM     23  C   LIG    1        3.179  -0.960   0.521  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        3.018   0.062  -0.442  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.891   1.164  -0.441  0.00  0.00    +0.078 A 
ATOM     26  N   LIG    1        3.793   2.166  -1.333  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        2.824   2.103  -2.271  0.00  0.00    +0.115 A 
ATOM     28  C   LIG    1        1.917   1.071  -2.365  0.00  0.00    +0.066 A 
ATOM     29  C   LIG    1        2.007   0.051  -1.423  0.00  0.00    +0.139 A 
ATOM     30  C   LIG    1        4.893   1.221   0.517  0.00  0.00    +0.077 A 
BRANCH  21  32
ATOM     31  C   LIG    1        6.928   1.324   2.476  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        6.033   0.221   2.446  0.00  0.00    -0.491 OA
ENDBRANCH  21  32
BRANCH  22  33
ATOM     33  O   LIG    1        4.416  -1.835   2.447  0.00  0.00    -0.491 OA
ATOM     34  C   LIG    1        3.582  -2.985   2.455  0.00  0.00    +0.277 C 
ENDBRANCH  22  33
ENDBRANCH  20  29
ENDBRANCH   1  20
TORSDOF 7