REMARK  Name = BDB055643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708   1.454  -0.380  0.00  0.00    +0.155 C 
ATOM      2  C   LIG    1       -1.829   0.719   0.312  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.017   0.476   1.662  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -3.155  -0.233   2.046  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -4.081  -0.682   1.086  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -3.892  -0.435  -0.287  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -2.756   0.274  -0.637  0.00  0.00    +0.049 A 
ATOM      8  N   LIG    1       -2.330   0.651  -1.906  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -2.797   0.429  -2.777  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -1.122   1.339  -1.864  0.00  0.00    +0.231 C 
ATOM     11  O   LIG    1       -0.520   1.780  -2.830  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1        4.885  -0.947   0.447  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.579  -1.348   0.126  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        2.549  -0.384   0.049  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.876   0.952   0.292  0.00  0.00    +0.049 A 
ATOM     16  N   LIG    1        1.723   1.691   0.142  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1        1.682   2.698   0.236  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        0.656   0.878  -0.168  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        4.172   1.374   0.612  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        1.153  -0.410  -0.243  0.00  0.00    +0.137 A 
ATOM     21  C   LIG    1        5.171   0.399   0.687  0.00  0.00    +0.021 A 
BRANCH  12  23
ATOM     22  N   LIG    1        6.783  -2.710   0.601  0.00  0.00    -0.191 NA
ATOM     23  C   LIG    1        5.931  -1.925   0.530  0.00  0.00    +0.099 C 
ENDBRANCH  12  23
BRANCH  20  24
ATOM     24  N   LIG    1        0.334  -1.580  -0.588  0.00  0.00    -0.028 NA
ATOM     25  O   LIG    1        0.825  -2.675  -0.298  0.00  0.00    -0.143 OA
ENDBRANCH  20  24
ENDBRANCH   1  18
BRANCH   6  26
ATOM     26  C   LIG    1       -4.905  -0.913  -1.284  0.00  0.00    +0.419 C 
ATOM     27  F   LIG    1       -6.085  -0.240  -1.183  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.513  -0.774  -2.583  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.216  -2.230  -1.130  0.00  0.00    -0.166 F 
ENDBRANCH   6  26
TORSDOF 4