REMARK  Name = BDB045952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.396   0.991  -1.101  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.562  -0.351  -1.059  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.562  -1.185  -0.543  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.224  -0.777  -0.539  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.869   0.472  -1.047  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.864   1.308  -1.556  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.201   0.903  -1.562  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.012  -0.785  -1.042  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.768  -0.213   0.168  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.019  -1.061   0.417  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        8.185  -0.705   0.351  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.730  -2.326   0.794  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        7.612  -2.732   0.935  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        6.096   1.152  -0.122  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        5.114   2.510   1.622  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        6.389   1.934   1.033  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.455   0.171  -0.601  0.00  0.00    +0.248 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.772   0.935  -0.768  0.00  0.00    +0.152 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.916   0.160  -0.269  0.00  0.00    -0.291 N 
ATOM     20  C   LIG    1       -4.592  -0.733  -1.126  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1       -5.699  -1.441  -0.618  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -6.425  -2.339  -1.407  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -6.056  -2.559  -2.729  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -4.962  -1.880  -3.255  0.00  0.00    +0.002 A 
ATOM     25  O   LIG    1       -6.141  -1.302   0.681  0.00  0.00    -0.452 OA
ATOM     26  C   LIG    1       -5.415  -0.483   1.520  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -5.862  -0.435   2.845  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -5.195   0.354   3.774  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.084   1.089   3.375  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.641   1.040   2.046  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -4.238  -0.979  -2.462  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -4.299   0.257   1.085  0.00  0.00    +0.077 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10