REMARK  Name = BDB047394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.696  -0.857  -0.108  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -0.640  -0.929  -1.037  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -0.622  -1.986  -1.966  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -1.638  -2.953  -2.000  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.700  -2.864  -1.077  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.720  -3.830  -1.114  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.690  -4.868  -2.047  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.640  -4.955  -2.955  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.620  -4.003  -2.932  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.716  -1.814  -0.142  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -1.631   0.189   0.775  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -2.568   0.262   1.851  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.811   1.045   1.429  0.00  0.00    +0.041 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.812   1.161   2.578  0.00  0.00    +0.003 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.912   1.421   1.151  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.030   2.022   2.235  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1        0.482   0.097  -1.009  0.00  0.00    +0.160 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.103   0.175  -2.303  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        1.749   0.900  -2.248  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        1.535  -0.269   0.053  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.502   0.829   0.257  0.00  0.00    -0.099 C 
ATOM     22  C   LIG    1        3.291   1.719   0.421  0.00  0.00    -0.102 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.260   2.807   0.630  0.00  0.00    +0.089 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.152   3.023  -0.596  0.00  0.00    +0.024 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.102   1.860  -0.893  0.00  0.00    +0.121 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.182   1.700   0.152  0.00  0.00    +0.307 C 
ATOM     27  O   LIG    1        7.457   2.521   1.016  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.822   0.511  -0.032  0.00  0.00    -0.468 OA
ATOM     29  C   LIG    1        8.873   0.266   0.904  0.00  0.00    +0.280 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 14