REMARK  Name = BDB046704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.900   2.176  -0.491  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -6.268  -0.585   0.102  0.00  0.00    +0.206 C 
ATOM      3  O   LIG    1       -5.022  -0.044   0.601  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -4.338   0.796  -0.235  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -4.916   1.416  -1.345  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -4.127   2.256  -2.137  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -2.790   2.481  -1.806  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.218   1.872  -0.687  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -6.347   1.168  -1.705  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1       -3.002   1.033   0.101  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1       -7.096   0.545  -0.532  0.00  0.00    +0.064 C 
BRANCH   2  13
ATOM     12  C   LIG    1       -8.363  -1.694   1.214  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1       -6.950  -1.151   1.373  0.00  0.00    +0.056 C 
ENDBRANCH   2  13
BRANCH   2  14
ATOM     14  C   LIG    1       -5.958  -1.767  -0.859  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -4.882  -2.348  -0.921  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -6.994  -2.168  -1.638  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.839  -1.704  -1.510  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   2  14
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -0.194   1.544   0.578  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.292   0.145   0.193  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.247   0.166  -1.001  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.427   0.918  -0.716  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.483   0.297  -0.113  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        3.525  -1.025   0.333  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.681  -1.526   0.941  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        5.803  -0.712   1.093  0.00  0.00    +0.129 A 
ATOM     26  C   LIG    1        5.761   0.617   0.674  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        4.605   1.113   0.067  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.892  -1.261   1.729  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        8.131  -1.031   1.176  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        9.158  -0.671   2.050  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       10.446  -0.456   1.558  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       10.708  -0.617   0.197  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        9.686  -1.000  -0.672  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        8.397  -1.216  -0.183  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11