REMARK  Name = BDB047809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.020  -0.509   0.406  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -1.524  -0.904  -0.842  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.875  -0.724  -1.176  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.718  -0.128  -0.221  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -3.244   0.288   1.036  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -1.886   0.090   1.331  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.394  -1.143  -2.489  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -4.517  -1.981  -2.591  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.010  -2.380  -3.837  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.387  -1.946  -5.004  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.273  -1.114  -4.926  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.781  -0.717  -3.679  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1       -4.146   0.920   2.013  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -4.276   0.409   3.315  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -5.133   1.008   4.242  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.875   2.130   3.882  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.761   2.653   2.596  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.904   2.052   1.670  0.00  0.00    +0.008 A 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  C   LIG    1        0.441  -0.707   0.729  0.00  0.00    +0.264 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.190   0.267   0.008  0.00  0.00    -0.487 OA
BRANCH  20  26
ATOM     21  C   LIG    1        5.335   2.316  -1.409  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        4.634   1.276  -0.579  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        5.362   0.389   0.231  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1        4.676  -0.575   0.975  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        3.278  -0.652   0.932  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        2.550   0.232   0.140  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        3.233   1.190  -0.611  0.00  0.00    +0.052 A 
BRANCH  23  28
ATOM     28  O   LIG    1        6.722   0.540   0.201  0.00  0.00    -0.481 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.500  -0.111   1.194  0.00  0.00    +0.349 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.884  -1.545   0.867  0.00  0.00    +0.343 C 
ATOM     31  O   LIG    1        7.598  -2.195  -0.124  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.630  -2.106   1.846  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        8.819  -3.006   1.506  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  20  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9