REMARK  Name = BDB047254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.739   0.025  -2.811  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        6.707   0.474   0.646  0.00  0.00    +0.206 C 
ATOM      3  O   LIG    1        5.489  -0.155   0.191  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1        4.658   0.604  -0.587  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        4.752   1.992  -0.691  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        3.851   2.671  -1.518  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        2.861   1.967  -2.207  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.758   0.580  -2.088  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        5.813   2.750   0.046  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1        3.660  -0.098  -1.270  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        6.419   1.896   1.151  0.00  0.00    +0.064 C 
BRANCH   2  13
ATOM     12  C   LIG    1        8.427   0.023   2.558  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        7.199  -0.447   1.791  0.00  0.00    +0.056 C 
ENDBRANCH   2  13
BRANCH   2  14
ATOM     14  C   LIG    1        7.752   0.424  -0.488  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1        7.784  -0.356  -1.427  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1        8.739   1.337  -0.362  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        9.311   1.158  -1.140  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   2  14
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1        1.604  -1.395  -2.831  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.765  -1.904  -1.663  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.598  -1.220  -1.591  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.341  -1.846  -0.546  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.611  -1.392  -0.302  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -3.335  -2.045   0.707  0.00  0.00    +0.083 A 
ATOM     24 CL   LIG    1       -2.654  -3.366   1.595  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -4.639  -1.649   1.026  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -5.251  -0.587   0.346  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -4.526   0.060  -0.663  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.221  -0.336  -0.983  0.00  0.00    +0.047 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.666  -0.141   0.670  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -6.854   0.212   2.152  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1       -8.235   0.822   2.415  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1       -9.322   0.308   1.469  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -9.029  -1.103   0.979  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1       -7.707  -1.181   0.208  0.00  0.00    +0.008 C 
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10