REMARK  Name = BDB053194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.437   0.429   2.267  0.00  0.00    +0.151 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -2.755  -0.232   1.476  0.00  0.00    +0.182 A 
ATOM      3  N   LIG    1       -1.594  -0.456   2.196  0.00  0.00    -0.321 N 
ATOM      4  C   LIG    1       -1.721  -1.668   2.849  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.684  -2.260   3.731  0.00  0.00    +0.065 C 
ATOM      6  C   LIG    1       -2.963  -2.141   2.479  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1       -3.635  -3.404   2.862  0.00  0.00    +0.067 C 
ATOM      8  N   LIG    1       -3.582  -1.253   1.639  0.00  0.00    -0.229 NA
BRANCH   2   9
ATOM      9  C   LIG    1       -3.050   0.920   0.627  0.00  0.00    +0.228 C 
ATOM     10  O   LIG    1       -2.241   1.824   0.405  0.00  0.00    -0.283 OA
BRANCH   9  15
ATOM     11  C   LIG    1       -8.159   1.565  -2.063  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.850   1.414  -1.347  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -5.662   1.850  -1.943  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.439   1.678  -1.288  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -4.383   1.050  -0.036  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -5.572   0.617   0.561  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -6.794   0.788  -0.096  0.00  0.00    +0.004 A 
ENDBRANCH   9  15
ENDBRANCH   2   9
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        0.565   0.126   1.190  0.00  0.00    -0.005 C 
ATOM     19  C   LIG    1        0.931   1.006   0.244  0.00  0.00    +0.005 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.893   0.709  -0.825  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        3.056  -0.037  -0.599  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        3.966  -0.255  -1.635  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        3.696   0.209  -2.919  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        2.549   0.965  -3.152  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        1.659   1.226  -2.106  0.00  0.00    +0.008 A 
BRANCH  22  26
ATOM     26  O   LIG    1        5.063  -1.029  -1.392  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.306  -0.346  -1.098  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1        6.152   0.790  -0.073  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1        6.955   0.146  -2.398  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1        7.215  -1.437  -0.472  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1        6.877  -2.592  -0.248  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.471  -1.025  -0.156  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        8.681  -0.096  -0.358  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH   1  18
TORSDOF 9