REMARK  Name = BDB017386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.959   1.285  -0.683  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -1.657   0.477  -0.542  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -1.446  -0.278   0.410  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.711   0.706  -1.510  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -0.948   1.340  -2.787  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        0.439   1.433  -3.414  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.122   0.168  -2.900  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -1.577   2.612  -2.729  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1       -1.554   3.283  -1.478  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        0.586   0.041  -1.470  0.00  0.00    +0.165 C 
ATOM     11  C   LIG    1       -2.665   2.781  -0.555  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.749  -0.205   0.114  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -3.892   0.852   0.359  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -3.522   0.916   1.298  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -4.939  -0.641  -1.022  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -5.534  -0.732   1.350  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -4.676  -0.917   2.601  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -5.458  -3.152   0.874  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -6.291  -1.959   0.990  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -6.700  -1.783   0.066  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        1.557   0.715  -0.469  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        2.626  -0.112  -0.146  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        2.564  -1.058  -0.488  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.387   1.869  -0.086  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.755   0.180   0.667  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        4.715  -0.852   0.935  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.845  -0.534   1.737  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        6.815  -1.509   2.028  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.698  -2.808   1.542  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.607  -3.149   0.759  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.004   0.758   2.249  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        5.067   1.748   1.984  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        4.633  -2.190   0.461  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        3.954   1.461   1.198  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5