REMARK  Name = BDB055594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.478  -0.141   0.086  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.670  -0.846  -0.830  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -2.263  -1.561  -2.015  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -0.279  -0.887  -0.631  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.320  -0.250   0.459  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -0.475   0.456   1.357  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.860   0.503   1.172  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -3.788   2.145  -1.321  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.578   1.014  -0.717  0.00  0.00    -0.043 A 
ATOM     10  C   LIG    1       -3.942  -0.060  -0.055  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1       -4.737  -1.081   0.499  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -6.128  -1.047   0.398  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.749   0.012  -0.255  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.980   1.037  -0.807  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        1.682  -0.363   0.505  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.350  -0.048   1.731  0.00  0.00    +0.285 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.689   1.438   1.844  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1        3.023   1.984   2.887  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1        2.594   2.107   0.670  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1        2.350   1.492  -0.056  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1        3.637  -0.883   1.831  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.630  -0.637   0.716  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        5.654   0.307   0.870  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.553   0.551  -0.169  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.440  -0.147  -1.369  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.427  -1.090  -1.533  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.525  -1.334  -0.496  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 7