REMARK  Name = BDB047692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.583  -0.821   0.890  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.500  -1.550   1.471  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1        4.500  -0.963   0.404  0.00  0.00    -0.046 A 
ATOM      4  C   LIG    1        3.523  -0.134  -0.160  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        2.171  -0.287   0.172  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.777  -1.279   1.067  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.748  -2.110   1.627  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        4.098  -1.959   1.298  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1        5.952  -0.804   0.025  0.00  0.00    +0.053 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.851   0.073   0.939  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        6.972  -0.522   2.354  0.00  0.00    +0.023 C 
BRANCH  10  13
ATOM     12  C   LIG    1        5.413   1.965   2.063  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        6.412   1.567   0.982  0.00  0.00    +0.015 C 
ENDBRANCH  10  13
BRANCH  10  14
ATOM     14  C   LIG    1        8.215   0.058   0.238  0.00  0.00    +0.311 C 
ATOM     15  O   LIG    1        8.502   0.676  -0.776  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        9.130  -0.757   0.791  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        9.918  -0.659   0.215  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.994  -1.441  -0.445  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.136  -0.680  -1.108  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.282  -0.730  -0.260  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.449  -0.223  -0.760  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.572  -0.449   0.036  0.00  0.00    +0.072 A 
ATOM     23  C   LIG    1       -6.826   0.010  -0.371  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -6.989   0.709  -1.578  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -8.344   1.162  -1.964  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1       -9.375   0.894  -1.142  0.00  0.00    +0.074 A 
ATOM     27  C   LIG    1       -9.203   0.169   0.135  0.00  0.00    +0.249 A 
ATOM     28  O   LIG    1      -10.162  -0.050   0.867  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1       -8.552   1.902  -3.251  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.851   0.942  -2.361  0.00  0.00    +0.014 A 
ATOM     31  N   LIG    1       -7.937  -0.235   0.445  0.00  0.00    -0.322 N 
ATOM     32  H   LIG    1       -7.830  -0.726   1.321  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -4.591   0.481  -1.955  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11