REMARK  Name = BDB000445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.186  -2.271   1.034  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.628  -1.421  -0.023  0.00  0.00    -0.492 OA
BRANCH   2   7
ATOM      3  C   LIG    1       -6.590   1.251  -0.009  0.00  0.00    +0.030 C 
ATOM      4  C   LIG    1       -5.316   0.468   0.184  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -4.431   0.676  -0.878  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -3.210   0.025  -0.927  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -2.857  -0.835   0.119  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.742  -1.031   1.191  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -5.012   1.616  -1.886  0.00  0.00    +0.036 C 
ATOM     10  C   LIG    1       -4.980  -0.379   1.227  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -6.113   2.289  -1.053  0.00  0.00    +0.013 C 
BRANCH   3  12
ATOM     12  C   LIG    1       -7.734   0.391  -0.552  0.00  0.00    +0.128 C 
BRANCH  12  14
ATOM     13  O   LIG    1       -8.329  -0.278   1.725  0.00  0.00    -0.251 OA
ATOM     14  C   LIG    1       -8.375  -0.448   0.519  0.00  0.00    +0.305 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -9.105  -1.456   0.000  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       -9.476  -1.912   0.784  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   3  12
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.209  -2.785   0.700  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.220  -1.651   0.550  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.506  -2.240   0.345  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.563  -1.386   0.196  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.503   0.006   0.202  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        4.672   0.762   0.039  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        5.921   0.147  -0.136  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        5.964  -1.255  -0.141  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.798  -2.010   0.023  0.00  0.00    +0.046 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.145   0.946  -0.308  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        7.996   0.739  -1.407  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        9.158   1.498  -1.573  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        9.490   2.478  -0.640  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.661   2.699   0.457  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.499   1.940   0.620  0.00  0.00    +0.008 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10