REMARK  Name = BDB055165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.133  -0.764   0.799  0.00  0.00    +0.264 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.413  -0.169   0.415  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -3.520   0.747  -0.127  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.138   0.550  -0.004  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.625  -0.572   0.658  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -2.523  -1.491   1.206  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.901  -1.288   1.082  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -5.772  -0.127   0.384  0.00  0.00    -0.475 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -6.393   2.269   0.432  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -6.548   0.909  -0.253  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -6.365   0.938  -1.773  0.00  0.00    +0.067 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -8.016   0.478  -0.012  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1       -8.997   1.107  -0.385  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -8.133  -0.693   0.665  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1       -7.234  -1.032   0.870  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        0.456  -0.744  -0.500  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.815  -0.871  -0.571  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.686  -1.015   0.510  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        4.064  -1.133   0.292  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        4.572  -1.092  -1.008  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        3.706  -0.972  -2.091  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        2.333  -0.854  -1.870  0.00  0.00    +0.049 A 
BRANCH  20  23
ATOM     23  O   LIG    1        5.911  -1.239  -1.290  0.00  0.00    -0.456 OA
BRANCH  23  24
ATOM     24  C   LIG    1        6.798  -0.498  -0.543  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        7.919  -1.162  -0.045  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        8.873  -0.460   0.692  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.712   0.908   0.916  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.603   1.577   0.398  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.647   0.876  -0.340  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9