REMARK  Name = BDB017666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.823  -0.733  -1.032  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.509  -1.499  -0.080  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.824  -1.179   0.267  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        3.500  -0.108  -0.336  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        4.902   0.165   0.065  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        5.621   1.163  -0.590  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        5.330   1.298  -1.554  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        7.065   1.279  -0.412  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        7.416   1.039   1.051  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        6.868  -0.311   1.526  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.463  -0.566   1.050  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.727  -1.683   1.702  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        5.235  -2.362   2.590  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.800   0.664  -1.274  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.463  -1.935   1.254  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        2.978  -2.696   1.710  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.480   0.353  -1.623  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -0.602  -1.078  -1.414  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1       -4.068   0.497  -0.165  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1       -3.904  -0.620  -1.111  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1       -2.842  -1.637  -0.628  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -1.524  -1.077  -0.268  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -1.661   0.281   0.317  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -3.057   0.588   0.903  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1       -7.629   1.436  -0.427  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1       -6.353   0.997  -0.789  0.00  0.00    +0.062 A 
ATOM     27  C   LIG    1       -5.352   0.910   0.174  0.00  0.00    +0.123 A 
ATOM     28  N   LIG    1       -5.607   1.274   1.450  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -6.846   1.695   1.785  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1       -7.888   1.790   0.890  0.00  0.00    +0.038 A 
BRANCH  25  32
ATOM     31  N   LIG    1       -9.499   1.592  -2.214  0.00  0.00    -0.191 NA
ATOM     32  C   LIG    1       -8.662   1.524  -1.414  0.00  0.00    +0.099 C 
ENDBRANCH  25  32
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4