REMARK  Name = BDB059981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.348  -1.174  -0.373  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1        1.463  -0.004  -0.063  0.00  0.00    +0.225 C 
ATOM      3  O   LIG    1        1.709   0.777   0.848  0.00  0.00    -0.284 OA
ATOM      4  C   LIG    1        0.215   0.164  -0.936  0.00  0.00    +0.180 C 
ATOM      5  O   LIG    1       -0.579   1.301  -0.633  0.00  0.00    -0.475 OA
ATOM      6  C   LIG    1       -1.772   1.621  -1.445  0.00  0.00    +0.152 C 
ATOM      7  C   LIG    1       -1.961   0.529  -2.409  0.00  0.00    +0.013 C 
ATOM      8  C   LIG    1       -1.292  -0.436  -2.623  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -1.488   2.970  -2.162  0.00  0.00    +0.048 C 
ATOM     10  C   LIG    1       -0.103  -0.728  -1.924  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1        0.773  -1.901  -2.199  0.00  0.00    +0.198 C 
ATOM     12  O   LIG    1        0.577  -2.761  -3.036  0.00  0.00    -0.286 OA
ATOM     13  C   LIG    1        1.908  -1.914  -1.334  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        3.534  -1.493   0.321  0.00  0.00    +0.030 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.827  -1.832   1.086  0.00  0.00    +0.005 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.119  -2.168   1.853  0.00  0.00    +0.000 C 
BRANCH  16  18
ATOM     17  C   LIG    1        8.703  -2.846   3.385  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1        7.411  -2.505   2.620  0.00  0.00    +0.000 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -2.913   1.740  -0.521  0.00  0.00    +0.049 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.102   1.873   0.452  0.00  0.00    +0.029 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.289   2.009   1.429  0.00  0.00    -0.034 C 
ATOM     22  C   LIG    1       -6.285   2.117   2.252  0.00  0.00    -0.048 C 
ATOM     23  C   LIG    1       -6.439   1.104   3.395  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1       -7.366   3.179   2.016  0.00  0.00    +0.026 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7