REMARK  Name = BDB055599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.047   2.096   1.573  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.648   0.738   1.053  0.00  0.00    -0.039 A 
ATOM      3  C   LIG    1       -2.522  -0.030   0.242  0.00  0.00    -0.012 A 
ATOM      4  C   LIG    1       -2.102  -1.312  -0.199  0.00  0.00    -0.039 A 
ATOM      5  C   LIG    1       -2.992  -2.185  -1.046  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -0.835  -1.794   0.163  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        0.023  -1.012   0.929  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -0.385   0.230   1.398  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -3.850   0.490  -0.128  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -4.970   0.232   0.677  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -6.229   0.725   0.328  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.383   1.482  -0.832  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.281   1.746  -1.643  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.022   1.254  -1.292  0.00  0.00    +0.008 A 
ENDBRANCH   3   9
BRANCH   7  15
ATOM     15  O   LIG    1        1.239  -1.520   1.290  0.00  0.00    -0.477 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.313  -1.136   0.415  0.00  0.00    +0.285 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.039  -1.217  -1.095  0.00  0.00    +0.346 C 
ATOM     18  O   LIG    1        1.955  -2.249  -1.747  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1        1.810  -0.034  -1.699  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1        1.584  -0.286  -2.619  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1        2.927   0.200   0.873  0.00  0.00    +0.091 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.372   0.373   0.462  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        4.711   1.184  -0.629  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.045   1.329  -1.014  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.050   0.667  -0.313  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.724  -0.140   0.775  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.391  -0.287   1.162  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   7  15
TORSDOF 7