REMARK  Name = BDB055162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.997   0.569  -0.064  0.00  0.00    +0.264 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        5.158  -0.340  -0.764  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        4.658   0.915  -1.098  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        3.311   1.212  -0.871  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.449   0.248  -0.329  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        2.960  -1.023  -0.028  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.304  -1.319  -0.258  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        6.456  -0.695  -0.993  0.00  0.00    -0.475 OA
BRANCH   8  10
ATOM      9  C   LIG    1        8.673  -1.022  -0.280  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1        7.450  -0.098  -0.137  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1        7.038  -0.077   1.347  0.00  0.00    +0.067 C 
BRANCH  10  12
ATOM     12  C   LIG    1        7.915   1.290  -0.619  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1        7.741   1.789  -1.720  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.639   1.970   0.298  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1        8.881   2.799  -0.168  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  O   LIG    1        0.183  -0.362  -0.776  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.171  -0.251  -0.623  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -1.916  -1.190  -1.338  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.313  -1.193  -1.273  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -3.988  -0.261  -0.479  0.00  0.00    -0.025 A 
ATOM     21  C   LIG    1       -3.238   0.689   0.224  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -1.838   0.692   0.158  0.00  0.00    +0.046 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.457  -0.276  -0.458  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1       -6.192  -0.029   0.639  0.00  0.00    +0.008 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -7.662  -0.045   0.658  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1       -8.409  -1.000  -0.043  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -9.805  -1.000   0.024  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1      -10.467  -0.052   0.801  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -9.734   0.893   1.516  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.338   0.893   1.449  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9