REMARK  Name = BDB011654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.347  -2.188  -0.070  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1        0.654  -1.341  -0.498  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1        0.440  -0.737  -1.287  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.164  -3.176   0.633  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.982  -1.346  -0.171  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.931  -0.549  -0.999  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1        2.561   0.203  -1.890  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1        4.222  -0.754  -0.498  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1        4.101  -1.583   0.667  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1        5.043  -2.716   0.690  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1        2.729  -1.878   0.808  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        2.272  -2.651   2.004  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1        5.127   0.398  -0.474  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.604   0.043  -0.295  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        7.506   1.258  -0.536  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1        6.858   2.588  -0.144  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.827   2.414   0.963  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.693   1.470   0.550  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1       -1.653   0.797  -0.663  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -2.245  -0.547  -0.869  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.511  -0.833  -1.347  0.00  0.00    +0.170 A 
ATOM     22  O   LIG    1       -3.696  -2.177  -1.345  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1       -2.569  -2.804  -0.869  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1       -1.680  -1.836  -0.592  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.645   0.017  -1.823  0.00  0.00    +0.191 C 
ATOM     26  O   LIG    1       -5.055   0.888  -0.758  0.00  0.00    -0.361 OA
ATOM     27  C   LIG    1       -5.705   0.227   0.342  0.00  0.00    +0.144 C 
ATOM     28  C   LIG    1       -6.724  -0.786  -0.120  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -6.807  -1.218  -1.386  0.00  0.00    -0.026 C 
ATOM     30  C   LIG    1       -5.850  -0.721  -2.428  0.00  0.00    +0.066 C 
BRANCH  27  31
ATOM     31  C   LIG    1       -6.329   1.309   1.258  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1       -5.238   2.207   1.852  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -7.360   2.180   0.531  0.00  0.00    +0.010 C 
ENDBRANCH  27  31
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5