REMARK  Name = BDB054116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.940   0.799   0.225  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.042   0.837   1.270  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.301   0.420   2.156  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.655   1.153  -0.920  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.355   1.235   1.078  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        2.157   0.097   0.397  0.00  0.00    +0.107 C 
ATOM      7  N   LIG    1        3.624   0.227   0.378  0.00  0.00    -0.296 NA
ATOM      8  C   LIG    1        4.072   1.563  -0.037  0.00  0.00    +0.085 C 
ATOM      9  C   LIG    1        3.884   2.655   1.035  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        3.402   2.153   2.397  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1        1.942   1.687   2.423  0.00  0.00    +0.023 C 
BRANCH   7  12
ATOM     12  C   LIG    1        4.204  -0.833  -0.471  0.00  0.00    +0.119 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.686  -1.049  -0.241  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        6.186  -1.262   1.053  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.549  -1.482   1.260  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.425  -1.500   0.177  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.940  -1.298  -1.114  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.577  -1.077  -1.323  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.330   0.228   0.582  0.00  0.00    +0.162 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.265  -1.303   0.806  0.00  0.00    +0.018 C 
ATOM     21  C   LIG    1       -1.760  -2.065  -0.440  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -2.117  -3.545  -0.370  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -3.631  -3.761  -0.347  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.405  -2.594   0.267  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -3.596  -1.876   1.341  0.00  0.00    +0.006 C 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     26  C   LIG    1       -4.438   1.240  -0.253  0.00  0.00    +0.230 C 
ATOM     27  N   LIG    1       -3.241   0.606  -0.494  0.00  0.00    -0.302 N 
ATOM     28  H   LIG    1       -2.806   0.712  -1.405  0.00  0.00    +0.150 HD
ATOM     29  O   LIG    1       -4.903   1.358   0.882  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1       -5.210   1.700  -1.518  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1       -4.371   2.623  -2.397  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -7.573   2.112  -1.926  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1       -6.424   2.433  -1.093  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1       -6.625   2.163  -0.122  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 8